Ligand source activities (1 row/activity)



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Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
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name		 GPCRdb
ID		 #Vendors

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ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 AssayType

 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
127034769 143272 0 None - 1 Human 11.0 pEC50 = 11.0 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736177 143272 0 None - 1 Human 11.0 pEC50 = 11.0 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347491 216322 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735159 218958 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL583102 222560 6 None -2 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035105 143198 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735427 143198 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
127034749 143128 0 None 33 2 Rat 10.9 pEC50 = 10.9 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734811 143128 0 None 33 2 Rat 10.9 pEC50 = 10.9 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127034928 143300 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736361 143300 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347513 216344 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735858 218960 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736299 218963 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734932 218956 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736512 218968 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
102531127 143239 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735812 143239 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
127034748 143179 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735306 143179 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
108147 10355 36 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
2127 10355 36 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL106124 10355 36 None 1 4 Rat 10.6 pEC50 = 10.6 Functional
Agonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at rat NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL2347510 216341 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736459 218967 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347512 216343 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
125111645 143273 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736185 143273 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
102531125 143166 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735210 143166 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735951 218961 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347496 216327 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035706 143142 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734892 143142 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347492 216323 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347498 216329 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347508 216339 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347494 216325 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347509 216340 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347497 216328 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
91809194 143168 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735225 143168 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347493 216324 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035106 143145 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL3734921 143145 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL2347495 216326 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
102531124 143275 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL3736198 143275 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL2347489 216321 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2370235 216589 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736313 218964 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1039/C4MD00514G
102531123 143280 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736227 143280 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347488 216320 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347506 216337 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347361 216318 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347662 216350 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347657 216345 2 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347511 216342 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347659 216347 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
127035368 143252 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735963 143252 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127035367 143190 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735396 143190 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktideAgonist activity at human NK3 receptor expressed in CHO cells assessed as calcium influx relative to 100 nM senktide
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347499 216330 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347501 216332 0 None - 1 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347660 216348 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347661 216349 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347502 216333 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL436706 220465 0 None 16 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
10328936 8328 30 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2086 8328 30 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2955 8328 30 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL373569 8328 30 None -2 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL2347362 216319 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347507 216338 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL583102 222560 6 None 2 2 Guinea pig 9.2 pEC50 = 9.2 Functional
Agonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphateAgonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
CHEMBL583102 222560 6 None -2 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphateAgonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
CHEMBL583102 222560 6 None -2 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
CHEMBL81919 222665 0 None 676 2 Guinea pig 9.1 pEC50 = 9.1 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL2347658 216346 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
53323748 65177 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682949 65177 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53317130 65170 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682942 65170 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318420 65178 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682950 65178 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 434 6 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL2347503 216334 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347500 216331 7 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
44355368 32413 0 None -173 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 737 22 6 8 1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL135186 32413 0 None -173 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 737 22 6 8 1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O 10.1021/jm00100a027
53317537 65181 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cscn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682953 65181 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cscn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325578 65179 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682951 65179 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccn2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
10055612 103200 0 None -295 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 711 23 7 8 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O 10.1021/jm00100a027
CHEMBL262049 103200 0 None -295 3 Rat 5.0 pEC50 = 5.0 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 711 23 7 8 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O 10.1021/jm00100a027
5311135 28495 12 None -316 3 Rat 5.9 pEC50 = 5.9 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 920 29 11 13 -2.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL131872 28495 12 None -316 3 Rat 5.9 pEC50 = 5.9 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 920 29 11 13 -2.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O 10.1021/jm00100a027
53325016 65186 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 499 8 1 4 5.0 CC[C@H](NC(=O)c1c([S+]([O-])CC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682958 65186 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 499 8 1 4 5.0 CC[C@H](NC(=O)c1c([S+]([O-])CC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
14860666 112196 0 None 3 2 Guinea pig 7.9 pEC50 = 7.9 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL 710 21 6 8 1.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL311917 112196 0 None 3 2 Guinea pig 7.9 pEC50 = 7.9 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
ChEMBL 710 21 6 8 1.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
53324128 65189 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682961 65189 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
16065390 65168 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 444 6 1 4 5.2 CC[C@H](NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682940 65168 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 444 6 1 4 5.2 CC[C@H](NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318840 65196 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 6 1 3 5.5 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682968 65196 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 6 1 3 5.5 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2010.11.003
53323749 65185 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 7 1 3 6.3 CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682957 65185 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 7 1 3 6.3 CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326690 65197 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 5 1 3 5.1 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682969 65197 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 5 1 3 5.1 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 10.1016/j.bmcl.2010.11.003
53317131 65175 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682947 65175 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53322796 65188 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(C)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682960 65188 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(C)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL583102 222560 6 None -2 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
16064397 65172 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 458 7 1 4 5.3 CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682944 65172 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 458 7 1 4 5.3 CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325439 65192 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 471 7 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(N(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682964 65192 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 471 7 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(N(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326317 65182 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cncs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682954 65182 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 435 6 1 5 5.0 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cncs2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361400 218360 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
16065257 65166 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682938 65166 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53325015 65183 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 418 6 2 4 4.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682955 65183 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 418 6 2 4 4.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
44355648 103899 0 None -58 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 994 29 10 13 -1.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL267712 103899 0 None -58 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 994 29 10 13 -1.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C2C1=O)C(N)=O 10.1021/jm00100a027
44355117 28560 0 None -45 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 946 28 10 13 -2.1 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL131923 28560 0 None -45 3 Rat 5.6 pEC50 = 5.6 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL 946 28 10 13 -2.1 CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C2C1=O)C(N)=O 10.1021/jm00100a027
CHEMBL3361398 218358 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O 10.1021/jm500771w
108147 10355 36 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2127 10355 36 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
CHEMBL106124 10355 36 None -7 4 Human 8.5 pEC50 = 8.5 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
53325403 65173 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 8 1 3 5.7 CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682945 65173 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 456 8 1 3 5.7 CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL2370372 216618 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL583102 222560 6 None -2 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsAgonist activity at human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm2017072
53321471 65194 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682966 65194 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 6 1 3 5.8 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53308735 65167 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682939 65167 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361397 218357 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm500771w
16065392 65169 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 7 1 3 6.6 CC[C@H](NC(=O)c1c(CSC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682941 65169 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 426 7 1 3 6.6 CC[C@H](NC(=O)c1c(CSC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361401 218361 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
16036824 65165 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 412 6 1 3 6.5 CC[C@H](NC(=O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682937 65165 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 412 6 1 3 6.5 CC[C@H](NC(=O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53320155 65191 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 472 8 1 4 5.9 CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c([S+](C)[O-])c(-c3ccccc3)nc2c1 10.1016/j.bmcl.2010.11.003
CHEMBL1682963 65191 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 472 8 1 4 5.9 CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c([S+](C)[O-])c(-c3ccccc3)nc2c1 10.1016/j.bmcl.2010.11.003
53325440 65198 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 5 1 3 5.4 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CCC1 10.1016/j.bmcl.2010.11.003
CHEMBL1682970 65198 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 440 5 1 3 5.4 C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CCC1 10.1016/j.bmcl.2010.11.003
16065257 65166 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682938 65166 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 428 6 1 3 5.5 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53326315 65176 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682948 65176 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL441061 220658 19 None -2 2 Guinea pig 8.3 pEC50 = 8.3 Functional
Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl esterEffective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1021/jm00112a018
CHEMBL2347504 216335 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
53322797 65193 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 506 6 1 3 6.3 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Br)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682965 65193 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 506 6 1 3 6.3 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Br)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53322390 65171 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682943 65171 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.7 CC[C@H](NC(=O)c1c(C[S@+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
10328936 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2086 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2955 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
CHEMBL373569 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
ChEMBL None None None None 10.1016/j.bmcl.2006.08.086
2089 9542 28 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3795 9542 28 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311311 9542 28 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL217406 9542 28 None -45 8 Human 7.3 pEC50 = 7.3 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2089 9542 28 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3795 9542 28 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
5311311 9542 28 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL217406 9542 28 None -562 8 Rat 6.3 pEC50 = 6.3 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
2090 9543 25 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311312 9543 25 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL437797 9543 25 None -2 9 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2090 9543 25 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
5311312 9543 25 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL437797 9543 25 None -1 9 Rat 8.2 pEC50 = 8.2 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
10328936 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2086 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
2955 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
CHEMBL373569 8328 30 None -2 2 Human 8.2 pEC50 = 8.2 Functional
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generationActivity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
ChEMBL None None None None 10.1016/j.bmcl.2006.08.085
16065391 65184 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.9 CC[C@H](NC(=O)c1c([S+]([O-])CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682956 65184 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 442 7 1 3 5.9 CC[C@H](NC(=O)c1c([S+]([O-])CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL583102 222560 6 None -2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
53326316 65180 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccnc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682952 65180 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccnc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
108147 10355 36 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2127 10355 36 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL106124 10355 36 None -7 4 Human 8.2 pEC50 = 8.2 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
53326688 65190 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 462 6 1 3 6.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Cl)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682962 65190 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 462 6 1 3 6.2 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Cl)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53320156 65199 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccnc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682972 65199 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccnc1 10.1016/j.bmcl.2010.11.003
2098 10466 36 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
36511 10466 36 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3805 10466 36 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
3835 10466 36 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
CHEMBL235363 10466 36 None -1949 11 Rat 5.1 pEC50 = 5.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None None 10.1021/jm00100a027
53322798 65200 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1016/j.bmcl.2010.11.003
CHEMBL1682973 65200 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 429 6 1 4 4.9 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1016/j.bmcl.2010.11.003
2098 10466 36 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
36511 10466 36 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3805 10466 36 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3835 10466 36 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL235363 10466 36 None -616 11 Human 6.1 pEC50 = 6.1 Functional
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsCompound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
53321470 65187 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682959 65187 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
53318419 65174 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682946 65174 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 446 6 1 3 5.7 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL134481 215508 0 None -25 3 Rat 6.1 pEC50 = 6.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O 10.1021/jm00100a027
CHEMBL335054 218259 0 None -288 3 Rat 6.1 pEC50 = 6.1 Functional
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O 10.1021/jm00100a027
53326689 65195 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 485 8 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(CN(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL1682967 65195 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assayAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
ChEMBL 485 8 1 4 5.6 CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(CN(C)C)ccc12)c1ccccc1 10.1016/j.bmcl.2010.11.003
CHEMBL3361399 218359 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation countingAgonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
89493243 155376 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3939146 155376 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549360 167368 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112776 167368 0 None - 1 Human 8.0 pIC50 = 8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549913 125634 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422007 125634 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
118735340 125616 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 125616 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
118735348 125623 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
CHEMBL3421995 125623 0 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
145864510 181918 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4569878 181918 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
118735340 125616 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 125616 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
71549913 125634 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422007 125634 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549638 166946 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4109230 166946 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
3245625 27216 11 None 7 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1306947 27216 11 None 7 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
155512473 176440 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4437427 176440 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
71549771 166608 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4106444 166608 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
54584909 67439 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760335 67439 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54586802 67385 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760209 67385 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
20906619 67442 7 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 67442 7 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583959 67443 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 67443 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54579949 67394 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 382 3 2 4 3.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760218 67394 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 382 3 2 4 3.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1 10.1016/j.bmcl.2011.02.033
155540643 179713 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4516772 179713 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 C[C@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
16035466 25530 1 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 25530 1 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
67450880 125633 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3422006 125633 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71533722 125638 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 125638 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
86274362 125632 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422005 125632 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
53482949 125619 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421989 125619 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
67452845 125620 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421990 125620 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
53482947 125624 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421996 125624 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71533722 125638 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL3422010 125638 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
2132 10516 58 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
5311424 10516 58 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
CHEMBL10188 10516 58 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
71549363 158471 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3964222 158471 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549912 166764 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4107668 166764 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
71549914 167557 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4114218 167557 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
51351496 67382 7 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 67382 7 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
51351504 67383 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 67383 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
54584911 67447 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760349 67447 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54585869 67446 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccncc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760342 67446 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccncc2)CC1 10.1016/j.bmcl.2011.02.033
118735353 125635 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422008 125635 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53472113 125636 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 125636 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
54579946 67379 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760202 67379 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
90417914 125643 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL3422015 125643 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549769 125646 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422018 125646 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549498 155512 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
CHEMBL3940252 155512 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
54579948 67393 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760217 67393 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583921 67389 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760213 67389 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54585832 67388 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760212 67388 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549768 167346 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
CHEMBL4112613 167346 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
8870164 67448 6 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 332 3 1 3 3.0 O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760350 67448 6 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 332 3 1 3 3.0 O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2)CC1 10.1016/j.bmcl.2011.02.033
2849628 105068 9 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 105068 9 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
20906556 67441 6 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760337 67441 6 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549767 125645 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 125645 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
54582922 67387 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 440 5 1 6 2.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760211 67387 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 440 5 1 6 2.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
118735350 125629 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
CHEMBL3422001 125629 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
67452275 180937 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.8 C[C@@H]1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4546800 180937 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.8 C[C@@H]1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
44291015 108004 2 None -128 4 Rat 5.6 pIC50 = 5.6 Functional
In vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell linesIn vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 108004 2 None -128 4 Rat 5.6 pIC50 = 5.6 Functional
In vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell linesIn vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
16049828 9484 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 9484 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 9484 0 None 5 2 Human 7.6 pIC50 = 7.6 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cellsActivity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71549218 166704 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4107180 166704 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
54584865 67384 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760207 67384 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
54580929 67380 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760203 67380 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1 10.1016/j.bmcl.2011.02.033
71549361 167159 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4111118 167159 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
71549770 167212 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4111525 167212 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549219 167297 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112270 167297 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
11989776 9481 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
2130 9481 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221445 9481 0 None 13 2 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generationAntagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
118735355 125642 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422014 125642 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
90417914 125643 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 125643 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 125646 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 125646 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
16049828 9484 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 9484 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 9484 0 None 5 2 Human 7.5 pIC50 = 7.5 Functional
Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uMActivity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71549634 167046 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
CHEMBL4110178 167046 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
54586801 67373 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1=O 10.1016/j.bmcl.2011.02.033
CHEMBL1760197 67373 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 410 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1=O 10.1016/j.bmcl.2011.02.033
54580930 67390 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760214 67390 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53482945 125617 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 125617 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71549767 125645 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422017 125645 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
71549639 157059 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
CHEMBL3952660 157059 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
54583958 67438 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 5 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760334 67438 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 5 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549500 166867 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL4108578 166867 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549911 167036 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
CHEMBL4110064 167036 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
54580975 67435 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760331 67435 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
19572770 67445 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2cccnc2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760341 67445 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2cccnc2)CC1 10.1016/j.bmcl.2011.02.033
20864936 67386 7 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760210 67386 7 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71225056 125631 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
CHEMBL3422004 125631 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
118735345 125621 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421991 125621 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
53482945 125617 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 125617 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
145864512 181833 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.7 CC1c2nnn(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4567857 181833 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 5 3.7 CC1c2nnn(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
54580928 67374 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760198 67374 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549502 152668 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
CHEMBL3917687 152668 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
54584864 67375 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 391 3 1 4 3.6 N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760199 67375 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 391 3 1 4 3.6 N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
8867347 67377 5 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 67377 5 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
71549358 151435 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
CHEMBL3908229 151435 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
67453320 125628 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
CHEMBL3422000 125628 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
90417750 125639 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
CHEMBL3422011 125639 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
31915241 67444 4 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccn2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760340 67444 4 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 381 4 1 4 3.1 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccn2)CC1 10.1016/j.bmcl.2011.02.033
71549772 167331 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4112541 167331 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
71549499 167507 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
CHEMBL4113811 167507 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
54584910 67440 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760336 67440 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
2132 10516 58 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
5311424 10516 58 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
CHEMBL10188 10516 58 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm1010012
54582966 67436 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760332 67436 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
118735354 125641 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422013 125641 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
53482149 125622 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421994 125622 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735342 125618 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421985 125618 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735351 125630 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
CHEMBL3422002 125630 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
71549362 166932 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4109138 166932 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549635 167653 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4115030 167653 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549637 125644 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422016 125644 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
54582923 67391 7 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760215 67391 7 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53087371 67392 5 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760216 67392 5 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583920 67378 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 398 5 1 5 2.6 COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760201 67378 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 398 5 1 5 2.6 COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
118735349 125627 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3421999 125627 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
71549359 125640 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
CHEMBL3422012 125640 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
67453148 125626 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421998 125626 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
67455077 125625 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421997 125625 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assayAntagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71549637 125644 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422016 125644 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
54586837 67437 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760333 67437 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
145864511 181418 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2onc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
CHEMBL4558106 181418 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assayAntagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
ChEMBL 387 2 0 4 4.8 CC1c2onc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1 10.1016/j.bmc.2019.03.059
71549359 125640 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3422012 125640 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
71549503 167329 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4112531 167329 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.Aequorin Functional Assay: Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.  Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
16035466 25530 1 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 25530 1 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to controlAntagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
54579947 67381 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
CHEMBL1760204 67381 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assayAntagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
2849628 105068 9 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 105068 9 None - 1 Human 5.0 pIC50 = 5 Functional
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysisAntagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
9830361 188405 0 None - 0 Human 8.7 pKd = 8.7 Functional
Cellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptorCellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptor
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47739 188405 0 None - 0 Human 8.7 pKd = 8.7 Functional
Cellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptorCellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptor
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
25221995 203630 0 None - 0 Guinea pig 8.0 pKd = 8.0 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 203630 0 None - 0 Guinea pig 8.0 pKd = 8.0 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
10259370 113525 0 None - 0 Rat 7.0 pKd = 7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 730 12 3 7 3.4 CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144340 113525 0 None - 0 Rat 7.0 pKd = 7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 730 12 3 7 3.4 CC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
44370713 57806 0 None - 0 Rat 5.0 pKd = 5 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 653 13 4 7 3.2 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O 10.1021/jm960213s
CHEMBL157858 57806 0 None - 0 Rat 5.0 pKd = 5 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 653 13 4 7 3.2 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1)C(C)O 10.1021/jm960213s
10350528 113510 0 None - 4 Rat 5.0 pKd = 5 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 831 18 4 9 4.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144210 113510 0 None - 4 Rat 5.0 pKd = 5 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 831 18 4 9 4.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
2132 10516 58 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None - 1 Guinea pig 7.9 pKd = 7.9 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
10395494 113531 0 None - 0 Rat 5.9 pKd = 5.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 12 3 8 4.5 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144349 113531 0 None - 0 Rat 5.9 pKd = 5.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 12 3 8 4.5 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
10395612 113524 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 814 18 3 7 5.7 CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144339 113524 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 814 18 3 7 5.7 CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
10349900 113526 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 716 13 3 7 2.8 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144343 113526 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 716 13 3 7 2.8 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
9832198 113532 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 15 4 8 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144351 113532 0 None - 4 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 788 15 4 8 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
118718570 122144 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 786 12 7 8 1.2 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349798 122144 0 None - 0 Rat 4.9 pKd = 4.9 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 786 12 7 8 1.2 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
25222441 203920 0 None - 0 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 203920 0 None - 0 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2132 10516 58 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None - 1 Guinea pig 7.8 pKd = 7.8 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
10032981 113529 0 None - 0 Rat 6.8 pKd = 6.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 746 12 3 8 3.3 COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
CHEMBL3144347 113529 0 None - 0 Rat 6.8 pKd = 6.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 746 12 3 8 3.3 COC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 10.1021/jm00063a015
44370530 55897 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 639 13 4 7 2.6 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm960213s
CHEMBL156186 55897 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)
ChEMBL 639 13 4 7 2.6 CC(=O)NC(C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm960213s
21121353 108250 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 625 14 4 7 2.0 CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm00063a015
CHEMBL297776 108250 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 625 14 4 7 2.0 CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O 10.1021/jm00063a015
10418001 113530 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 822 14 3 8 4.9 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144348 113530 0 None - 0 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 822 14 3 8 4.9 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
10055415 113533 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 688 12 4 5 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144352 113533 0 None - 4 Rat 5.8 pKd = 5.8 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 688 12 4 5 3.2 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
44305816 169798 0 None - 0 Rat 4.8 pKd = 4.8 Functional
Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 589 8 2 4 3.6 CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 10.1016/S0960-894X(96)00604-X
CHEMBL417572 169798 0 None - 0 Rat 4.8 pKd = 4.8 Functional
Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 589 8 2 4 3.6 CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 10.1016/S0960-894X(96)00604-X
44550460 203816 0 None - 0 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None - 0 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2110 9743 38 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None 257 3 Human 7.7 pKd = 7.7 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
10325464 126912 0 None - 1 Rat 6.7 pKd = 6.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O 10.1021/jm950616c
CHEMBL351236 126912 0 None - 1 Rat 6.7 pKd = 6.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1)C(C)=O 10.1021/jm950616c
10350454 113508 0 None - 4 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 815 18 4 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144209 113508 0 None - 4 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 815 18 4 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
118718517 122140 0 None - 0 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 800 12 6 8 1.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349688 122140 0 None - 0 Rat 5.7 pKd = 5.7 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 800 12 6 8 1.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O 10.1021/jm00053a001
3086681 9052 17 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
3510 9052 17 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
CHEMBL42407 9052 17 None - 1 Rat 4.7 pKd = 4.7 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 559 11 2 5 4.2 COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1 10.1021/jm950616c
44550460 203816 0 None - 0 Guinea pig 7.6 pKd = 7.6 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None - 0 Guinea pig 7.6 pKd = 7.6 Functional
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
104943 62160 39 None - 4 Rat 5.6 pKd = 5.6 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 412 7 1 3 5.1 COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 10.1021/jm950616c
CHEMBL16192 62160 39 None - 4 Rat 5.6 pKd = 5.6 Functional
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3
ChEMBL 412 7 1 3 5.1 COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 10.1021/jm950616c
118718516 122139 0 None - 0 Rat 5.6 pKd = 5.6 Functional
Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 1599 27 12 16 2.8 CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O 10.1021/jm00053a001
CHEMBL3349687 122139 0 None - 0 Rat 5.6 pKd = 5.6 Functional
Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 1599 27 12 16 2.8 CC(C)C[C@H]1C(=O)N[C@@H](CCSCCSCC[C@@H]2NC(=O)[C@H](CC(C)C)N3C=C[C@@H](NC(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC2=O)C3=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C=CN1C2=O 10.1021/jm00053a001
44550460 203816 0 None - 0 Guinea pig 7.5 pKd = 7.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None - 0 Guinea pig 7.5 pKd = 7.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
2110 9743 38 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None -257 3 Guinea pig 8.5 pKd = 8.5 Functional
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
118718415 122129 0 None - 0 Rat 5.4 pKd = 5.4 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 820 12 8 10 -0.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O 10.1021/jm00053a001
CHEMBL3349511 122129 0 None - 0 Rat 5.4 pKd = 5.4 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisinTested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
ChEMBL 820 12 8 10 -0.5 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O 10.1021/jm00053a001
2132 10516 58 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None - 1 Human 8.2 pKd = 8.2 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL439284 220610 22 None - 0 Rat 6.2 pKd = 6.2 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL None None None CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00063a015
132837 9018 55 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
9461 9018 55 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
CHEMBL22870 9018 55 None - 4 Rat 5.2 pKd = 5.2 Functional
Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.Antagonistic potency for NK-3 receptor was determined in vitro, using isolated rat portal vein.
ChEMBL 472 6 2 3 5.0 CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2 10.1016/S0960-894X(96)00604-X
25222441 203920 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 203920 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
10439730 113534 0 None - 4 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 702 12 3 6 3.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3144353 113534 0 None - 4 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonistTested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist
ChEMBL 702 12 3 6 3.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O 10.1021/jm00063a015
CHEMBL3349620 218225 11 None - 0 Rat 5.1 pKd = 5.1 Functional
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)
ChEMBL None None None CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm00053a001
25221995 203630 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 203630 0 None - 0 Human 8.1 pKd = 8.1 Functional
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphateAntagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inositol phosphate
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
57403249 78284 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911968 78284 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1962728 78284 0 None - 0 Human 9.0 pKi = 9 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 625 6 1 4 6.3 Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 74759 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 74759 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 74759 0 None - 0 Human 8.8 pKi = 8.8 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 74761 0 None - 0 Human 8.7 pKi = 8.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 74761 0 None - 0 Human 8.7 pKi = 8.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 74761 0 None - 0 Human 7.7 pKi = 7.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 74761 0 None - 0 Human 7.7 pKi = 7.7 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 74761 0 None - 0 Human 7.6 pKi = 7.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 74761 0 None - 0 Human 7.6 pKi = 7.6 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 74758 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 74758 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52932923 74760 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 581 5 1 3 6.8 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911966 74760 0 None - 0 Human 7.5 pKi = 7.5 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 581 5 1 3 6.8 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 74758 0 None - 0 Human 7.4 pKi = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 74758 0 None - 0 Human 7.4 pKi = 7.4 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 74758 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 74758 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 74762 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 74762 0 None - 0 Human 8.3 pKi = 8.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57396275 74758 0 None - 0 Human 6.3 pKi = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911964 74758 0 None - 0 Human 6.3 pKi = 6.3 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.3 Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 74762 0 None - 0 Human 8.2 pKi = 8.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 74762 0 None - 0 Human 8.2 pKi = 8.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
52933155 74762 0 None - 0 Human 6.2 pKi = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911970 74762 0 None - 0 Human 6.2 pKi = 6.2 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 641 7 3 5 5.5 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2(CO)CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 74759 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 74759 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 74759 0 None - 0 Human 8.1 pKi = 8.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57392804 74759 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911965 74759 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911967 74759 0 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.0 Cc1cc(F)ccc1-c1cc(C2CNC(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
57398076 74761 0 None - 0 Human 6.1 pKi = 6.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
CHEMBL1911969 74761 0 None - 0 Human 6.1 pKi = 6.1 Functional
Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assayAntagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
ChEMBL 611 6 2 4 6.1 Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.07.116
5782 10645 0 None - 1 Rat 7.5 pA2 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
10328936 8328 30 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2086 8328 30 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2955 8328 30 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
CHEMBL373569 8328 30 None -2 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mMAgonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
Drug Central None None None None None
2089 9542 28 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
3795 9542 28 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
5311311 9542 28 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL217406 9542 28 None -45 8 Human 7.4 pEC50 = 7.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
108147 10355 36 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2127 10355 36 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
CHEMBL106124 10355 36 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2090 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2090 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
5311312 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
5311312 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
CHEMBL437797 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL437797 9543 25 None -2 9 Human 8.4 pEC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
2113 9868 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2176308
2113 9868 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7476898
108147 10355 36 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
2127 10355 36 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
CHEMBL106124 10355 36 None -1 4 Guinea pig 9.3 pEC50 = 9.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2431898
190945 9802 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
5766 9802 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
10328936 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
10328936 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2086 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2086 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2955 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2955 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
CHEMBL373569 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL373569 8328 30 None -2 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
104974 10248 31 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
2111 10248 31 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
3481 10248 31 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
CHEMBL308148 10248 31 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
DB06660 10248 31 None -5623 5 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 8117304
2088 8958 0 None -1 2 Human 6.9 pIC50 = 6.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
45749 8958 0 None -1 2 Human 6.9 pIC50 = 6.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2131 10272 69 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
6604009 10272 69 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
CHEMBL10284 10272 69 None 95 4 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
2125 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
2125 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
5311350 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
5311350 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
CHEMBL444832 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8648606
CHEMBL444832 9804 2 None -2 5 Human 7.9 pIC50 = 7.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 8702757
2110 9743 38 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
219077 9743 38 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
3480 9743 38 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
CHEMBL346178 9743 38 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
DB04872 9743 38 None 257 3 Human 8.0 pIC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
10745164 9805 3 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
5767 9805 3 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
CHEMBL44229 9805 3 None - 1 Human 8.2 pIC50 = 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 8648606
2126 9967 0 None - 1 Human 6.5 pIC50 None 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
16049828 9484 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
2129 9484 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
CHEMBL219162 9484 0 None 5 2 Human 8.2 pIC50 None 8.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 16950620
11989776 9481 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617
2130 9481 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617
CHEMBL221445 9481 0 None 13 2 Human 8.4 pIC50 None 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 16950617


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Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
Sel. page Similar-
ity		 Common
name		 GPCRdb
ID		 #Vendors

 Reference
ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 Assay
Type		 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
108147 10355 36 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
2127 10355 36 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
CHEMBL106124 10355 36 None 2 3 Rat 9.3 pEC50 = 9.3 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None None 10.1021/jm960154i
118724968 123268 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3361408 123268 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
44337560 116527 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 950 19 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
CHEMBL323028 116527 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 950 19 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
44337530 174676 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 964 19 9 10 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
CHEMBL431243 174676 0 None - 0 Rat 6.0 pEC50 = 6 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL 964 19 9 10 0.9 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O 10.1021/jm960154i
108147 10355 36 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
2127 10355 36 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 10355 36 None -2 3 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL None None None None 10.1021/jm500771w
108147 10355 36 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
2127 10355 36 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 10355 36 None 2 3 Rat 7.9 pEC50 = 7.9 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL None None None None 10.1021/jm500771w
118724964 123264 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 123264 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
118724964 123264 0 None - 0 Rat 7.7 pEC50 = 7.7 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 123264 0 None - 0 Rat 7.7 pEC50 = 7.7 Binding
Agonist activity at rat NK3RAgonist activity at rat NK3R
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
118724966 123266 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361406 123266 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL106184 215249 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(N)=O 10.1021/jm960154i
10843656 103597 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).
ChEMBL 1009 34 10 11 -0.1 CNC(=O)CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm960154i
CHEMBL265115 103597 0 None - 0 Rat 5.7 pEC50 = 5.7 Binding
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).
ChEMBL 1009 34 10 11 -0.1 CNC(=O)CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm960154i
118724967 123267 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
CHEMBL3361407 123267 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
118724965 123265 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361405 123265 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effectAgonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
2110 9743 38 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
219077 9743 38 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
3480 9743 38 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL346178 9743 38 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
DB04872 9743 38 None -3 6 Human 9.7 pIC50 = 9.7 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/0960-894X(95)00313-I
127034749 143128 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734811 143128 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
127034928 143300 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736361 143300 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 24 8 10 -0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
44418982 91337 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 635 7 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL222078 91337 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 635 7 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
9831641 86472 5 None - 0 Guinea pig 9.1 pIC50 = 9.1 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2115415 86472 5 None - 0 Guinea pig 9.1 pIC50 = 9.1 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
2110 9743 38 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
219077 9743 38 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
3480 9743 38 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
CHEMBL346178 9743 38 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
DB04872 9743 38 None -3 6 Human 9.1 pIC50 = 9.1 Binding
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptorsTachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/S0960-894X(97)00064-4
44419687 143726 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 6 1 4 6.4 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL374354 143726 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 6 1 4 6.4 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1 10.1016/j.bmcl.2006.08.086
108147 10355 36 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
2127 10355 36 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL106124 10355 36 None -2 3 Human 9.0 pIC50 = 9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
10258592 105983 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 7 0 4 6.8 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
CHEMBL281481 105983 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 7 0 4 6.8 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
127034940 143260 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 25 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736089 143260 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 25 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
10393390 105053 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 8 0 3 7.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL27463 105053 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 8 0 3 7.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL2347361 216318 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347488 216320 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
44418984 144297 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 609 6 1 6 6.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375419 144297 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 609 6 1 6 6.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCCCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
23649245 9782 29 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
5775 9782 29 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3545233 9782 29 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
DB11692 9782 29 None - 1 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
44418981 143720 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 585 7 1 6 6.1 COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL374307 143720 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 585 7 1 6 6.1 COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347496 216327 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347362 216319 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418980 91043 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 595 6 1 7 5.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221238 91043 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 595 6 1 7 5.8 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
2090 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
5311312 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
CHEMBL437797 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
127035106 143145 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
CHEMBL3734921 143145 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 800 23 9 10 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O 10.1039/C4MD00514G
2090 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
5311312 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
CHEMBL437797 9543 25 None 1 4 Human 8.0 pIC50 = 8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
11618471 143492 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 412 3 2 5 4.4 COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL374067 143492 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 412 3 2 5 4.4 COC(=O)N(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
2090 9543 25 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
5311312 9543 25 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL437797 9543 25 None - 4 Guinea pig 8.0 pIC50 = 8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL436706 220465 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
3040489 51335 2 None - 0 Guinea pig 5.0 pIC50 = 5 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u MBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u M
ChEMBL 318 4 1 2 3.8 O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL151990 51335 2 None - 0 Guinea pig 5.0 pIC50 = 5 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u MBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u M
ChEMBL 318 4 1 2 3.8 O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
44288758 107888 0 None - 0 Human 5.0 pIC50 = 5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cnc4ccccc4c3)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL295122 107888 0 None - 0 Human 5.0 pIC50 = 5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cnc4ccccc4c3)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
44291442 107879 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295041 107879 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
44346117 21663 0 None - 0 Human 5.0 pIC50 = 5 Binding
Tested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cellsTested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cells
ChEMBL 493 6 1 4 6.1 O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1C2CCC(C2)C1Cc1ccccc1 10.1016/S0960-894X(96)00570-7
CHEMBL120790 21663 0 None - 0 Human 5.0 pIC50 = 5 Binding
Tested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cellsTested for binding affinity of compound against [125I][MePhe]-NKB binding to Tachykinin receptor 3 in stably expressed CHO cells
ChEMBL 493 6 1 4 6.1 O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1C2CCC(C2)C1Cc1ccccc1 10.1016/S0960-894X(96)00570-7
44291084 108197 0 None - 0 Human 7.0 pIC50 = 7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL297399 108197 0 None - 0 Human 7.0 pIC50 = 7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
44291545 189735 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)OC(C)(C)C 10.1016/S0960-894X(00)80360-1
CHEMBL47929 189735 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 17 3 5 5.3 COCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)OC(C)(C)C 10.1016/S0960-894X(00)80360-1
102531123 143280 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736227 143280 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 793 25 8 10 -0.6 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
10769339 190382 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 4 5 5.1 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCCO 10.1021/jm950892r
CHEMBL48020 190382 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 17 4 5 5.1 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCCO 10.1021/jm950892r
11800009 175532 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 515 10 3 4 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccccc1 10.1021/jm950892r
CHEMBL43720 175532 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 515 10 3 4 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccccc1 10.1021/jm950892r
CHEMBL2347512 216343 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419722 144368 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375538 144368 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cccc(F)c12)c1ccccc1 10.1016/j.bmcl.2006.08.086
11605470 148496 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 484 7 1 6 4.8 COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL385738 148496 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 484 7 1 6 4.8 COC(=O)N(NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
108147 10355 36 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2127 10355 36 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 10355 36 None 2 3 Rat 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
71461705 86393 0 None - 0 Guinea pig 8.0 pIC50 = 8.0 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2114963 86393 0 None - 0 Guinea pig 8.0 pIC50 = 8.0 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
66826327 133146 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650414 133146 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL2115376 216046 0 None - 0 Rat 7.0 pIC50 = 7.0 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
44419717 91081 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221493 91081 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86275206 167517 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
CHEMBL4113908 167517 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
86275212 167672 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
CHEMBL4115179 167672 0 None - 1 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
73265454 133226 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 646 5 1 4 6.3 COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
CHEMBL3651893 133226 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 646 5 1 4 6.3 COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
118724967 123267 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
CHEMBL3361407 123267 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 856 26 9 11 0.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)N/C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)=N\O)C(N)=O 10.1021/jm500771w
10602517 108034 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 15 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO 10.1021/jm950892r
CHEMBL296210 108034 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 15 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO 10.1021/jm950892r
73350299 96270 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 746 21 7 8 1.8 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL2372739 96270 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 746 21 7 8 1.8 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL311405 217878 16 None - 0 Guinea pig 6.0 pIC50 = 6.0 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O 10.1016/0960-894X(94)85022-4
CHEMBL265573 217433 0 None - 0 Rat 4.9 pIC50 = 4.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
10698860 108081 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccccc1OCC(N)=O 10.1021/jm950892r
CHEMBL296524 108081 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccccc1OCC(N)=O 10.1021/jm950892r
CHEMBL583102 222560 6 None 5248 2 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
44419014 89942 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 580 6 1 7 5.8 COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL218321 89942 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 580 6 1 7 5.8 COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86274488 167496 0 None 1584 2 Human 7.9 pIC50 = 7.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4113741 167496 0 None 1584 2 Human 7.9 pIC50 = 7.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
108147 10355 36 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
2127 10355 36 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 10355 36 None - 3 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
ChEMBL None None None None 10.1021/jm950892r
73265457 133229 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 653 4 0 4 4.5 CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
CHEMBL3651896 133229 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 653 4 0 4 4.5 CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
86275683 152857 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
CHEMBL3919172 152857 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
86275211 167051 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4110242 167051 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
44294476 192987 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 497 9 3 3 6.5 CC(NC(=O)[C@@](C)(Cc1cc2ccccc2[nH]1)NC(=O)OC(c1ccccc1)C(C)C)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL48731 192987 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 497 9 3 3 6.5 CC(NC(=O)[C@@](C)(Cc1cc2ccccc2[nH]1)NC(=O)OC(c1ccccc1)C(C)C)c1ccccc1 10.1016/0960-894X(95)00313-I
10577242 108101 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 497 9 3 3 6.5 CC(C)C(OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL296676 108101 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 497 9 3 3 6.5 CC(C)C(OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL265155 217417 0 None - 0 Rat 5.9 pIC50 = 5.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm00037a009
127035706 143142 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3734892 143142 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 880 26 9 10 0.5 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
2098 10466 36 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
36511 10466 36 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3805 10466 36 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3835 10466 36 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL235363 10466 36 None -5248 6 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
122187068 129767 0 None - 1 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608685 129767 0 None - 1 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
44276792 105907 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 8 1 4 6.5 O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL281019 105907 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 8 1 4 6.5 O=C1CCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL2347498 216329 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347508 216339 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3735159 218958 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
2098 10466 36 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
36511 10466 36 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
3805 10466 36 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
3835 10466 36 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
CHEMBL235363 10466 36 None - 6 Rat 6.9 pIC50 = 6.9 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None None 10.1021/jm00037a009
86272101 155770 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3942295 155770 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275209 167344 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112608 167344 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
118724966 123266 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361406 123266 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.8 CSCC[C@H](NC(=O)/C(=C/CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
86272104 167385 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112928 167385 0 None - 1 Human 6.9 pIC50 = 6.9 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
9914897 185837 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47146 185837 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
9914897 185837 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 185837 0 None - 0 Guinea pig 7.9 pIC50 = 7.9 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
73265451 133222 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 666 4 0 3 6.8 CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
CHEMBL3651889 133222 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 666 4 0 3 6.8 CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
73265450 133220 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 680 4 0 3 7.2 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
CHEMBL3651887 133220 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 680 4 0 3 7.2 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
66826687 133148 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650416 133148 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
10745164 9805 3 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
5767 9805 3 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
CHEMBL44229 9805 3 None - 0 Human 5.9 pIC50 = 5.9 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 546 15 4 4 5.1 NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C 10.1021/jm950892r
129625879 151362 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 151362 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
44290618 188561 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL47778 188561 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
44291515 107915 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295301 107915 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
2131 10272 69 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
6604009 10272 69 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
CHEMBL10284 10272 69 None 34 2 Human 7.8 pIC50 = 7.8 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
71533722 125638 0 None 1 5 Human 7.8 pIC50 = 7.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 125638 0 None 1 5 Human 7.8 pIC50 = 7.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
135449286 199968 2 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cellsDisplacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 502 6 2 5 4.3 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 10.1021/jm950654w
CHEMBL52330 199968 2 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cellsDisplacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 502 6 2 5 4.3 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 10.1021/jm950654w
86275208 166985 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
CHEMBL4109584 166985 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
7033529 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00313-I
CHEMBL33650 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00313-I
CHEMBL2372516 217044 0 None - 0 Rat 4.8 pIC50 = 4.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
10836148 166361 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL410291 166361 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
44291441 183617 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL46113 183617 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
127049297 147372 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813742 147372 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
127052434 147443 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 518 9 1 4 8.1 CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814967 147443 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 518 9 1 4 8.1 CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
7033529 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL33650 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL2370372 216618 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O 10.1016/j.bmc.2013.01.036
7033529 123351 4 None - 0 Guinea pig 5.8 pIC50 = 5.8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00582-E
CHEMBL33650 123351 4 None - 0 Guinea pig 5.8 pIC50 = 5.8 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00582-E
7033529 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL33650 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
86275449 129764 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608682 129764 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
81689815 129766 0 None 20 2 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 129766 0 None 20 2 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
122187066 129763 0 None - 1 Human 4.8 pIC50 = 4.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
CHEMBL3608681 129763 0 None - 1 Human 4.8 pIC50 = 4.8 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
9914897 185837 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47146 185837 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
2125 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
5311350 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
CHEMBL444832 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
125111645 143273 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736185 143273 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 841 26 8 10 -0.0 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
2125 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
5311350 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
CHEMBL444832 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
10340761 91036 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 6 1 4 5.1 CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221197 91036 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 6 1 4 5.1 CCN(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86274487 166868 0 None 691 3 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4108583 166868 0 None 691 3 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
2125 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 9804 2 None - 1 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
9914897 185837 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 185837 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44419059 91019 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 1 5 5.8 COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221077 91019 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 1 5 5.8 COC(=O)N(NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86275449 129764 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL3608682 129764 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
7033529 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL33650 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL2372519 217047 0 None - 0 Rat 5.8 pIC50 = 5.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2cc3ccccc3cc21)C(N)=O 10.1021/jm00037a009
7033529 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(01)80821-0
CHEMBL33650 123351 4 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 8 3 4 2.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/S0960-894X(01)80821-0
10650463 108176 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 557 13 3 4 5.4 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCc1ccccc1 10.1021/jm950892r
CHEMBL297252 108176 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 557 13 3 4 5.4 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCc1ccccc1 10.1021/jm950892r
10460302 174583 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL430576 174583 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
44291546 108311 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL298252 108311 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL2347661 216349 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
44419062 143739 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 509 5 1 6 4.6 COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL374438 143739 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 509 5 1 6 4.6 COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44418998 173011 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 552 5 1 6 6.5 COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL426714 173011 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 552 5 1 6 6.5 COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44290659 108310 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL298247 108310 0 None - 0 Guinea pig 7.8 pIC50 = 7.8 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL405422 219340 0 None - 0 Rat 6.8 pIC50 = 6.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)SC)C(N)=O 10.1021/jm00037a009
86274960 151305 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
CHEMBL3907155 151305 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
86275450 166687 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL4107016 166687 0 None - 1 Human 6.8 pIC50 = 6.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL406442 219387 0 None - 0 Rat 4.8 pIC50 = 4.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O 10.1021/jm00037a009
2125 9804 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 9804 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 9804 2 None - 1 Rat 5.8 pIC50 = 5.8 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL3736313 218964 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1039/C4MD00514G
90663905 113527 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 487 11 5 3 3.3 CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL3144344 113527 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 487 11 5 3 3.3 CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
44290762 188911 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 594 17 4 5 4.8 CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL47822 188911 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 594 17 4 5 4.8 CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL2347492 216323 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
10422 8415 34 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
117604931 8415 34 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL3608680 8415 34 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
DB15669 8415 34 None 8 2 Human 7.8 pIC50 = 7.8 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL2114443 216034 0 None - 0 Rat 6.8 pIC50 = 6.8 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
10646059 108120 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL296858 108120 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 425 8 3 4 2.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL2369767 216463 0 None - 0 Guinea pig 5.7 pIC50 = 5.7 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/0960-894X(94)85022-4
15485361 104005 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 9 0 3 7.5 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL26860 104005 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 576 9 0 3 7.5 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 10.1016/s0960-894x(98)00215-7
CHEMBL2347659 216347 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86274490 166665 0 None 1000 3 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4106866 166665 0 None 1000 3 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
10422 8415 34 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 8415 34 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 8415 34 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 8415 34 None 8 2 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
53472113 125636 0 None 1 5 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3422009 125636 0 None 1 5 Human 7.7 pIC50 = 7.7 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL276294 217607 0 None - 0 Rat 6.7 pIC50 = 6.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S(C)(=O)=O)C(N)=O 10.1021/jm00037a009
44419703 144478 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 469 6 1 5 5.9 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375879 144478 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 469 6 1 5 5.9 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(=O)OCC(C)C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2372444 217024 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
CHEMBL411230 219653 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
51000511 133145 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650413 133145 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 431 6 3 5 4.6 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
118724965 123265 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361405 123265 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 826 27 7 9 1.9 CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL2347500 216331 7 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418978 91042 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 577 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221237 91042 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 577 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
2090 9543 25 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
5311312 9543 25 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL437797 9543 25 None - 4 Guinea pig 8.7 pIC50 = 8.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2132 10516 58 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
5311424 10516 58 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL10188 10516 58 None 1 6 Human 8.6 pIC50 = 8.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347511 216342 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44276738 103965 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 560 6 0 2 7.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL26831 103965 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 560 6 0 2 7.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
11498370 107953 0 None - 0 Guinea pig 8.6 pIC50 = 8.6 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL295615 107953 0 None - 0 Guinea pig 8.6 pIC50 = 8.6 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 654 8 1 7 5.7 COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2372525 217049 0 None - 0 Rat 4.7 pIC50 = 4.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O 10.1021/jm00037a009
86272105 167476 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4113569 167476 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
104974 10248 31 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
2111 10248 31 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
3481 10248 31 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
CHEMBL308148 10248 31 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
DB06660 10248 31 None - 7 Guinea pig 6.7 pIC50 = 6.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 10.1016/0960-894X(96)00148-5
10072464 116523 0 None - 1 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
CHEMBL32301 116523 0 None - 1 Human 5.7 pIC50 = 5.7 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1021/jm950892r
108147 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
2127 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
CHEMBL106124 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL None None None None 10.1016/0960-894X(95)00313-I
108147 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
2127 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
CHEMBL106124 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL None None None None 10.1016/S0960-894X(00)80360-1
86274730 167272 0 None - 1 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4112037 167272 0 None - 1 Human 7.7 pIC50 = 7.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
153996 119445 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
CHEMBL330366 119445 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
CHEMBL539021 119445 2 None - 3 Guinea pig 7.7 pIC50 = 7.7 Binding
NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexNK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/0960-894X(96)00148-5
11517160 91003 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 4 1 4 4.6 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220907 91003 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 4 1 4 4.6 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C(C)=O)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2114442 216033 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
44291788 108189 0 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL297327 108189 0 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL3361397 218357 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm500771w
44419718 144385 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL375640 144385 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
44419691 175276 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 425 5 1 4 5.0 CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL435313 175276 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 425 5 1 4 5.0 CCC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
44291015 108004 2 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 108004 2 None - 0 Guinea pig 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
108147 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
2127 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL106124 10355 36 None -2 3 Human 7.7 pIC50 = 7.7 Binding
Inhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKBInhibitory activity against Tachykinin receptor 3 in rat cortical membranes labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
86275210 149888 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3895534 149888 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86275448 167560 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL4114258 167560 0 None - 1 Human 6.7 pIC50 = 6.7 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL2115375 216045 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@H]1CCc2ccccc21)C(N)=O 10.1021/jm00037a009
CHEMBL410808 219622 0 None - 0 Rat 5.7 pIC50 = 5.7 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O 10.1021/jm00037a009
51347474 133147 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650415 133147 0 None - 0 Human 4.7 pIC50 = 4.7 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 437 6 3 6 4.7 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O nan
44291016 108044 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1021/jm950892r
CHEMBL296258 108044 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1021/jm950892r
44291656 183794 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1016/S0960-894X(00)80360-1
CHEMBL46290 183794 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 567 16 4 5 4.8 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(=O)O 10.1016/S0960-894X(00)80360-1
CHEMBL3361401 218361 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
127035367 143190 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735396 143190 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
127049013 147450 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 407 6 1 3 6.7 CC[C@H](NC(=O)c1c(N=[N+]=[N-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3815065 147450 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 407 6 1 3 6.7 CC[C@H](NC(=O)c1c(N=[N+]=[N-])c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
44419721 91053 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221307 91053 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
23653789 10359 24 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
9280 10359 24 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
CHEMBL447955 10359 24 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
DB12973 10359 24 None -1 2 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm400751p
86272343 166717 0 None - 1 Human 6.6 pIC50 = 6.6 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4107267 166717 0 None - 1 Human 6.6 pIC50 = 6.6 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
136094789 147371 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(O)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813735 147371 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(O)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
9852376 105878 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 8 0 4 6.6 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
CHEMBL280789 105878 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 639 8 0 4 6.6 CS(=O)(=O)N1CC2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 10.1016/s0960-894x(98)00215-7
25028925 98140 4 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 570 5 1 5 5.5 Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 10.1021/jm400751p
CHEMBL2402572 98140 4 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 570 5 1 5 5.5 Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21 10.1021/jm400751p
137647980 164716 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 600 7 1 4 7.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
CHEMBL4084542 164716 3 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 600 7 1 4 7.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
9869033 107200 5 None - 0 Human 5.6 pIC50 = 5.6 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL290364 107200 5 None - 0 Human 5.6 pIC50 = 5.6 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 463 6 1 3 5.9 Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 10.1016/0960-894X(96)00287-9
CHEMBL2347499 216330 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL306072 217756 0 None - 0 Guinea pig 6.6 pIC50 = 6.6 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
44290558 108299 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 615 17 3 6 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O 10.1021/jm950892r
CHEMBL298104 108299 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 615 17 3 6 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O 10.1021/jm950892r
10555683 187754 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 608 17 3 5 5.2 CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL47586 187754 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 608 17 3 5 5.2 CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
91809194 143168 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735225 143168 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 857 26 9 11 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
15608404 108341 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 746 21 7 8 1.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL298477 108341 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 746 21 7 8 1.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1016/S0960-894X(00)80360-1
44419729 91028 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221145 91028 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
129625879 151362 0 None - 1 Human 6.5 pIC50 = 6.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 151362 0 None - 1 Human 6.5 pIC50 = 6.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
108147 10355 36 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
2127 10355 36 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL106124 10355 36 None -2 3 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None None 10.1039/C4MD00514G
CHEMBL3361400 218360 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O 10.1021/jm500771w
CHEMBL2347503 216334 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
2090 9543 25 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311312 9543 25 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL437797 9543 25 None 1 4 Human 8.5 pIC50 = 8.5 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL583102 222560 6 None 5248 2 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44418979 91007 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 579 6 1 7 5.1 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL220963 91007 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 579 6 1 7 5.1 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
127034748 143179 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735306 143179 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
44418985 144383 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 597 6 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375638 144383 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 597 6 1 7 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44418986 144384 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 611 6 1 7 5.6 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375639 144384 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 611 6 1 7 5.6 COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347494 216325 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
127035368 143252 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735963 143252 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 813 23 8 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(=O)O)C(N)=O 10.1039/C4MD00514G
9915428 180412 3 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL45340 180412 3 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligandCompound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
136094788 147374 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 475 7 3 5 4.9 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813763 147374 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 475 7 3 5 4.9 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
71549769 125646 0 None 1 5 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 125646 0 None 1 5 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
86274727 167562 0 None 912 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4114280 167562 0 None 912 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
86274728 167735 0 None 1380 2 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4115594 167735 0 None 1380 2 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
9915428 180412 3 None - 0 Rat 7.5 pIC50 = 7.5 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 180412 3 None - 0 Rat 7.5 pIC50 = 7.5 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
10072464 116523 0 None - 1 Human 5.5 pIC50 = 5.5 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
CHEMBL32301 116523 0 None - 1 Human 5.5 pIC50 = 5.5 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 10.1016/0960-894X(95)00254-Q
10478708 214352 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 445 8 1 1 6.1 O=C(NCCc1ccccc1)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL94883 214352 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 445 8 1 1 6.1 O=C(NCCc1ccccc1)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
10722506 185718 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 616 17 4 6 3.9 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O 10.1021/jm950892r
CHEMBL47035 185718 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 616 17 4 6 3.9 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O 10.1021/jm950892r
CHEMBL2347504 216335 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(N)=O 10.1016/j.bmc.2013.01.036
86274489 129769 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608687 129769 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL264353 217397 0 None - 0 Rat 5.5 pIC50 = 5.5 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
44419758 90023 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 369 5 2 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218717 90023 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 369 5 2 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1 10.1016/j.bmcl.2006.08.086
86274489 129769 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
CHEMBL3608687 129769 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
86272100 158549 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3964898 158549 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
2110 9743 38 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
219077 9743 38 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
3480 9743 38 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
CHEMBL346178 9743 38 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
DB04872 9743 38 None 1 6 Guinea pig 6.5 pIC50 = 6.5 Binding
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membraneAbility to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
90663907 113528 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 448 11 4 3 2.8 CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL3144346 113528 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 448 11 4 3 2.8 CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
11676652 91018 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 10.1016/j.bmcl.2006.08.086
CHEMBL221070 91018 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 10.1016/j.bmcl.2006.08.086
86274729 167692 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4115295 167692 0 None - 1 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
2849628 105068 9 None - 1 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 105068 9 None - 1 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
22901331 18753 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
54435601 18753 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
59922977 18753 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
CHEMBL1183068 18753 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
CHEMBL278294 18753 0 None - 1 Rat 5.5 pIC50 = 5.5 Binding
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortexBinding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
ChEMBL 424 4 0 4 5.2 CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 10.1021/jm00109a034
44288896 175766 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 517 5 1 3 6.2 O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL43912 175766 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 517 5 1 3 6.2 O=C(N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1)c1ccnc2ccccc12 10.1016/0960-894X(96)00287-9
127034767 143192 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 799 23 9 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NN)C(N)=O 10.1039/C4MD00514G
CHEMBL3735400 143192 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 799 23 9 10 -0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NN)C(N)=O 10.1039/C4MD00514G
44419061 91050 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 495 5 2 6 4.2 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221299 91050 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 495 5 2 6 4.2 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
86275688 155086 0 None 794 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL3936869 155086 0 None 794 3 Human 7.5 pIC50 = 7.5 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL2347505 216336 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
10743411 108138 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL296983 108138 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
10743411 108138 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
CHEMBL296983 108138 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
10336036 119123 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/S0960-894X(96)00570-7
CHEMBL32940 119123 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/S0960-894X(96)00570-7
118724968 123268 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3361408 123268 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 840 26 9 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1021/jm500771w
CHEMBL3736512 218968 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
44419019 144057 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 513 5 2 6 4.4 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL375222 144057 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 513 5 2 6 4.4 COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347509 216340 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419728 91022 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221094 91022 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccc(F)cc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
9851237 108066 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1021/jm950892r
CHEMBL296440 108066 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1021/jm950892r
44290617 108186 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 573 13 4 5 5.1 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1 10.1021/jm950892r
CHEMBL297301 108186 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 573 13 4 5 5.1 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1 10.1021/jm950892r
127035105 143198 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735427 143198 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 784 23 8 9 -0.3 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(N)=O)C(N)=O 10.1039/C4MD00514G
44291515 107915 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL295301 107915 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 580 17 4 5 4.6 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O 10.1016/S0960-894X(00)80360-1
44419712 90015 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 413 3 2 5 4.5 COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218694 90015 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 413 3 2 5 4.5 COC(=O)N(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
86272103 167374 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112806 167374 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
122187067 129765 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608683 129765 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
136094790 147453 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3815072 147453 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL2370235 216589 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1016/j.bmc.2013.01.036
11989776 9481 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
2130 9481 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221445 9481 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 569 5 1 6 5.9 COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1 10.1016/j.bmcl.2006.08.085
9915428 180412 3 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 180412 3 None - 0 Guinea pig 8.4 pIC50 = 8.4 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
127034768 143271 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 23 7 11 -0.7 COC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1039/C4MD00514G
CHEMBL3736173 143271 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 827 23 7 11 -0.7 COC(=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1039/C4MD00514G
44419732 89961 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218421 89961 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347495 216326 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347491 216322 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
16049828 9484 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 9484 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 9484 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to gerbil NK3 receptorBinding affinity to gerbil NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL2347493 216324 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
2125 9804 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
5311350 9804 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
CHEMBL444832 9804 2 None - 1 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/0960-894X(95)00313-I
44291015 108004 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/0960-894X(95)00313-I
CHEMBL296014 108004 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cellsCompound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/0960-894X(95)00313-I
44291788 108189 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL297327 108189 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
44291015 108004 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL296014 108004 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
10468932 176012 0 None - 0 Guinea pig 5.4 pIC50 = 5.4 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 281 4 0 2 2.7 O=C1C(Cc2ccccc2)OCCN1Cc1ccccc1 10.1016/0960-894X(95)00582-E
CHEMBL441040 176012 0 None - 0 Guinea pig 5.4 pIC50 = 5.4 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL 281 4 0 2 2.7 O=C1C(Cc2ccccc2)OCCN1Cc1ccccc1 10.1016/0960-894X(95)00582-E
10649927 179446 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1021/jm950892r
CHEMBL44991 179446 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1021/jm950892r
44291547 174632 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1016/S0960-894X(00)80360-1
CHEMBL430952 174632 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 531 10 4 5 4.3 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 10.1016/S0960-894X(00)80360-1
10744303 179427 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL44965 179427 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL3361398 218358 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O 10.1021/jm500771w
44419733 89962 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 505 4 1 5 5.6 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL218422 89962 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 505 4 1 5 5.6 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
10578353 185477 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 16 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL46819 185477 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 539 16 4 5 4.3 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
10650335 108045 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 551 16 3 4 6.1 CCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
CHEMBL296275 108045 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 551 16 3 4 6.1 CCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 10.1021/jm950892r
127048298 147380 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813835 147380 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
86275682 160400 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
CHEMBL3980803 160400 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
86274961 167057 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4110286 167057 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
73265453 133225 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 617 4 0 4 5.0 CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
CHEMBL3651892 133225 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 617 4 0 4 5.0 CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 nan
10336036 119123 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
CHEMBL32940 119123 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 318 4 1 1 3.8 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
2089 9542 28 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
3795 9542 28 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
5311311 9542 28 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL217406 9542 28 None -1202 5 Human 7.4 pIC50 = 7.4 Binding
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsCompound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
ChEMBL None None None None 10.1016/s0960-894x(98)00215-7
CHEMBL2347497 216328 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44289197 107931 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 601 5 2 4 6.6 O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1)c1cc(O)nc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL295425 107931 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortexCompound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
ChEMBL 601 5 2 4 6.6 O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1)c1cc(O)nc2ccccc12 10.1016/0960-894X(96)00287-9
CHEMBL2372521 217048 0 None - 0 Rat 6.4 pIC50 = 6.4 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2ccccc21)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
86275451 166872 0 None 4466 3 Human 8.3 pIC50 = 8.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4108623 166872 0 None 4466 3 Human 8.3 pIC50 = 8.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
16035466 25530 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL1277892 25530 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 367 5 1 3 5.2 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10.1021/jm1010012
CHEMBL2347662 216350 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
127035576 143196 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 820 24 8 10 -1.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NS(N)(=O)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735419 143196 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 820 24 8 10 -1.2 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NS(N)(=O)=O)C(N)=O 10.1039/C4MD00514G
127049014 147434 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 2 3 6.1 CC[C@H](NC(=O)c1c(S)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814787 147434 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 2 3 6.1 CC[C@H](NC(=O)c1c(S)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
44418983 91073 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 578 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL221444 91073 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 578 6 1 6 6.3 COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44419015 90006 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 6 1 6 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL218639 90006 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 6 1 6 5.3 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
44419033 90913 1 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 555 6 1 6 5.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL220803 90913 1 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 555 6 1 6 5.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347513 216344 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
86274963 167234 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
CHEMBL4111714 167234 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
86274965 167337 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
CHEMBL4112585 167337 0 None - 1 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
44419017 91334 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 2 5 5.4 COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL222072 91334 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 494 5 2 5 5.4 COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
10743412 188216 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL47641 188216 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1016/0960-894X(95)00313-I
10743412 188216 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
CHEMBL47641 188216 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 482 15 3 4 5.6 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 10.1021/jm950892r
86275687 150419 0 None 776 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
CHEMBL3899877 150419 0 None 776 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
71454552 86394 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2114965 86394 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
10001673 214316 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 6 1 1 5.9 CC(C)(C)CNC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL94679 214316 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 411 6 1 1 5.9 CC(C)(C)CNC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL2347657 216345 2 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
11633686 90016 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F 10.1016/j.bmcl.2006.08.086
CHEMBL218695 90016 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1F 10.1016/j.bmcl.2006.08.086
CHEMBL307433 217759 0 None - 0 Guinea pig 6.3 pIC50 = 6.3 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
23294208 103923 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 8 1 4 6.8 O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL26790 103923 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 8 1 4 6.8 O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 10.1016/s0960-894x(98)00215-7
CHEMBL2347502 216333 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86275685 152056 0 None 416 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3913001 152056 0 None 416 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3736299 218963 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
51348516 133149 0 None - 0 Human 4.3 pIC50 = 4.3 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650417 133149 0 None - 0 Human 4.3 pIC50 = 4.3 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
108147 10355 36 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
2127 10355 36 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
CHEMBL106124 10355 36 None -2 3 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None None 10.1021/jm500771w
118724964 123264 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
CHEMBL3361404 123264 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL 824 26 7 9 1.7 CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)CC(C)C)C(N)=O 10.1021/jm500771w
86274731 167452 0 None 1584 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4113428 167452 0 None 1584 2 Human 7.3 pIC50 = 7.3 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
10744303 179427 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL44965 179427 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 510 15 4 4 4.8 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44419759 91082 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 383 5 1 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221495 91082 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 383 5 1 4 4.7 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1 10.1016/j.bmcl.2006.08.086
86274962 160007 7 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3977343 160007 7 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275686 153944 0 None 851 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
CHEMBL3927872 153944 0 None 851 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
44290917 193360 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 459 10 4 4 2.3 CC(Cc1ccccc1)(NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL48784 193360 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 459 10 4 4 2.3 CC(Cc1ccccc1)(NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
44291361 169216 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 459 10 4 4 2.3 C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL416641 169216 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 459 10 4 4 2.3 C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O 10.1016/S0960-894X(00)80360-1
CHEMBL3361399 218359 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation countingDisplacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm500771w
136094791 147368 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3813719 147368 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 398 5 3 4 5.2 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
102531125 143166 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735210 143166 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 855 27 8 10 0.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
86272102 129770 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 129770 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
2131 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
6604009 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
CHEMBL10284 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.03.006
2131 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
6604009 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
CHEMBL10284 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodDisplacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.11.014
44276673 104132 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 7 1 4 6.6 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL26951 104132 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 604 7 1 4 6.6 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)CN(c2ccccc2)NC3=O)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL2347489 216321 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
44419696 90566 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 441 5 1 5 5.2 CCOC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220581 90566 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 441 5 1 5 5.2 CCOC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
67232184 133224 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 548 4 0 3 4.9 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
CHEMBL3651891 133224 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 548 4 0 3 4.9 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 nan
10024953 214468 0 None - 0 Human 4.2 pIC50 = 4.2 Binding
Compound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cellsCompound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 416 5 0 2 5.3 O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 10.1016/S0960-894X(01)80820-9
CHEMBL95489 214468 0 None - 0 Human 4.2 pIC50 = 4.2 Binding
Compound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cellsCompound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cells
ChEMBL 416 5 0 2 5.3 O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 10.1016/S0960-894X(01)80820-9
86275684 160278 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
CHEMBL3979723 160278 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
86275207 129772 0 None 10 2 Human 7.2 pIC50 = 7.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 129772 0 None 10 2 Human 7.2 pIC50 = 7.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
122187069 129768 0 None - 1 Human 6.2 pIC50 = 6.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608686 129768 0 None - 1 Human 6.2 pIC50 = 6.2 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
86275452 149390 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL3891477 149390 0 None - 1 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL263852 217372 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(N)=O 10.1021/jm00037a009
73265456 133228 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 590 4 1 3 5.7 CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
CHEMBL3651895 133228 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 590 4 1 3 5.7 CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 nan
16049828 9484 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 9484 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 9484 0 None - 0 Rat 7.2 pIC50 = 7.2 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
71452806 86473 0 None - 0 Guinea pig 6.2 pIC50 = 6.2 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
CHEMBL2115416 86473 0 None - 0 Guinea pig 6.2 pIC50 = 6.2 Binding
The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membraneThe compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
ChEMBL 672 8 0 7 6.0 COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[S@@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(00)00324-3
44290902 176017 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccc(OCC(N)=O)cc1 10.1021/jm950892r
CHEMBL44108 176017 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 602 14 4 6 3.5 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccc(OCC(N)=O)cc1 10.1021/jm950892r
CHEMBL3735858 218960 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735951 218961 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL2347506 216337 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
86272102 129770 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3608688 129770 0 None 9 2 Human 8.2 pIC50 = 8.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
9915428 180412 3 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL45340 180412 3 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
2131 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
6604009 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
CHEMBL10284 10272 69 None 34 2 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
9915428 180412 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL45340 180412 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 546 15 4 4 5.1 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1016/0960-894X(95)00313-I
11597466 91013 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2006.08.086
CHEMBL221016 91013 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 445 4 1 5 5.0 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2006.08.086
11990142 90137 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 5 1 6 4.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)=O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL219330 90137 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
ChEMBL 537 5 1 6 4.5 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)=O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.085
CHEMBL2347510 216341 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3734940 218957 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
23294214 175939 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 7 1 4 6.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
CHEMBL440465 175939 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Compound was evaluated for affinity towards human Neurokinin NK3 receptorCompound was evaluated for affinity towards human Neurokinin NK3 receptor
ChEMBL 590 7 1 4 6.9 O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 10.1016/s0960-894x(98)00215-7
127034769 143272 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
CHEMBL3736177 143272 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 812 23 8 10 -1.4 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C(N)=O)C(N)=O 10.1039/C4MD00514G
51348515 133150 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
CHEMBL3650418 133150 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).Binding Assay: Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
ChEMBL 432 6 3 6 4.0 CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O nan
86274964 167126 0 None 758 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4110770 167126 0 None 758 2 Human 7.2 pIC50 = 7.2 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL2347658 216346 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
2098 10466 36 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
36511 10466 36 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
3805 10466 36 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
3835 10466 36 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL235363 10466 36 None - 6 Guinea pig 6.1 pIC50 = 6.1 Binding
Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
ChEMBL None None None None 10.1016/0960-894X(95)00582-E
CHEMBL3734932 218956 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
86274732 129773 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
CHEMBL3608741 129773 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
10504093 178608 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1016/0960-894X(95)00313-I
CHEMBL44686 178608 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandBinding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1016/0960-894X(95)00313-I
10504093 178608 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
CHEMBL44686 178608 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 458 9 2 3 6.0 CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 10.1021/jm950892r
86275447 167254 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL4111859 167254 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL269584 217578 0 None - 0 Rat 5.1 pIC50 = 5.1 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O 10.1021/jm00037a009
2090 9543 25 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
5311312 9543 25 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL437797 9543 25 None 1 4 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
86274732 129773 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 129773 0 None 7 3 Human 7.1 pIC50 = 7.1 Binding
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayAntagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
91535935 165398 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 532 7 1 4 6.8 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
CHEMBL4092276 165398 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of NK3 receptor (unknown origin) by FLIPR assayInhibition of NK3 receptor (unknown origin) by FLIPR assay
ChEMBL 532 7 1 4 6.8 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/acsmedchemlett.7b00094
72548703 168346 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysisDisplacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysis
ChEMBL 583 8 3 6 5.8 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 10.1016/j.bmcl.2018.03.093
CHEMBL4128926 168346 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysisDisplacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysis
ChEMBL 583 8 3 6 5.8 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 10.1016/j.bmcl.2018.03.093
2132 10516 58 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
5311424 10516 58 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL10188 10516 58 None 1 6 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2016.05.054
44419708 91072 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 3 1 4 5.1 COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL221443 91072 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 411 3 1 4 5.1 COC(=O)N(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
2131 10272 69 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
6604009 10272 69 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
CHEMBL10284 10272 69 None 34 2 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmc.2013.03.016
16049828 9484 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
2129 9484 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL219162 9484 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 427 4 1 5 4.8 COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2006.08.086
10405990 214903 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 356 5 0 2 4.9 COC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL98011 214903 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cellsInhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
ChEMBL 356 5 0 2 4.9 COC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 10.1016/S0960-894X(01)80821-0
CHEMBL2347501 216332 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL2347660 216348 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O 10.1016/j.bmc.2013.01.036
CHEMBL3736459 218967 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(N)=O 10.1039/C4MD00514G
9914897 185837 0 None - 0 Rat 7.1 pIC50 = 7.1 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
CHEMBL47146 185837 0 None - 0 Rat 7.1 pIC50 = 7.1 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL 528 15 4 4 5.0 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 10.1021/jm950892r
44290890 108251 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 427 8 4 5 2.0 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
CHEMBL297777 108251 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 427 8 4 5 2.0 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 10.1021/jm950892r
86274966 167050 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
CHEMBL4110224 167050 0 None - 1 Human 7.1 pIC50 = 7.1 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
44366589 128480 0 None - 0 Guinea pig 5.1 pIC50 = 5.1 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uMBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uM
ChEMBL 320 4 2 2 3.6 OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL358863 128480 0 None - 0 Guinea pig 5.1 pIC50 = 5.1 Binding
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uMBinding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uM
ChEMBL 320 4 2 2 3.6 OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 10.1016/0960-894X(94)80030-8
CHEMBL449091 220739 0 None - 0 Guinea pig 6.1 pIC50 = 6.1 Binding
Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortexConcentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
ChEMBL None None None C/C=C/CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O 10.1016/0960-894X(94)85022-4
CHEMBL2347507 216338 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O 10.1016/j.bmc.2013.01.036
2125 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
5311350 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
CHEMBL444832 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligandBinding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1016/S0960-894X(00)80360-1
2125 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
5311350 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
CHEMBL444832 9804 2 None - 1 Guinea pig 8.1 pIC50 = 8.1 Binding
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
ChEMBL 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 10.1021/jm950892r
2090 9543 25 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
5311312 9543 25 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
CHEMBL437797 9543 25 None 1 4 Human 8.0 pIC50 = 8.0 Binding
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKBInhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
ChEMBL None None None None 10.1021/jm950892r
102531127 143239 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL3735812 143239 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 869 28 8 10 0.8 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)NC(=O)CCC(=O)O)C(N)=O 10.1039/C4MD00514G
CHEMBL405209 219328 0 None - 0 Rat 7.0 pIC50 = 7.0 Binding
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomesConcentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1c2ccccc2-c2ccccc21)C(N)=O 10.1021/jm00037a009
102531124 143275 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
CHEMBL3736198 143275 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counterDisplacement of ([125I]His3-MePhe7)-NKB from NK3 receptor (unknown origin) expressed in CHO cells by scintillation counter
ChEMBL 807 26 8 10 -0.2 CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O 10.1039/C4MD00514G
44419704 90997 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 3 1 4 4.8 COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
CHEMBL220857 90997 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
ChEMBL 397 3 1 4 4.8 COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2006.08.086
10530762 108314 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
CHEMBL298272 108314 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1021/jm950892r
44291787 108001 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
CHEMBL295982 108001 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells
ChEMBL 553 16 4 5 4.7 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCO 10.1016/S0960-894X(00)80360-1
86275207 129772 0 None 10 2 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
CHEMBL3608740 129772 0 None 10 2 Human 7.0 pIC50 = 7.0 Binding
Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
44281769 116437 7 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 484 10 4 4 3.2 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 10.1016/0960-894X(95)00254-Q
CHEMBL32248 116437 7 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 484 10 4 4 3.2 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 10.1016/0960-894X(95)00254-Q
10016461 106852 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 279 4 0 1 3.3 O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
CHEMBL287256 106852 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandBinding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
ChEMBL 279 4 0 1 3.3 O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)C1 10.1016/0960-894X(95)00254-Q
44301357 205080 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cellsConcentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells
ChEMBL 432 8 4 3 4.1 CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 10.1016/S0960-894X(97)00346-6
CHEMBL57601 205080 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cellsConcentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells
ChEMBL 432 8 4 3 4.1 CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 10.1016/S0960-894X(97)00346-6
10328936 8328 30 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2086 8328 30 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
2955 8328 30 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
CHEMBL373569 8328 30 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisDisplacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
ChEMBL None None None None 10.1016/j.bmc.2013.01.036
44290948 176158 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
CHEMBL44214 176158 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesCompound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
ChEMBL 450 8 4 4 2.8 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 10.1021/jm950892r
127049298 147435 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
CHEMBL3814793 147435 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting methodDisplacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
ChEMBL 412 6 2 4 5.5 CC[C@H](NC(=O)c1c(O)c(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmc.2016.05.054
67233125 133221 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 564 4 1 3 5.8 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
CHEMBL3651888 133221 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
ChEMBL 564 4 1 3 5.8 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 nan
2110 9743 38 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None 1 6 Guinea pig 10.1 pKd = 10.1 Binding
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsApparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 10.1 pKd = 10.1 Binding
Binding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 9743 38 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None 1 6 Guinea pig 9.8 pKd = 9.8 Binding
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cellsEquilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None -3 6 Human 9.7 pKd = 9.7 Binding
Apparent binding affinity to human NK3 receptor expressed in HEK293 cellsApparent binding affinity to human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.2 pKd = 9.2 Binding
Binding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247F mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.0 pKd = 9 Binding
Binding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 Y247W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71453994 90309 0 None -10 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 90309 0 None -10 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11490769 90311 0 None -6 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 90311 0 None -6 2 Human 6.9 pKd = 6.9 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44241723 90307 0 None -12 2 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 7.8 pKd = 7.8 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 8.7 pKd = 8.7 Binding
Binding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 minsBinding affinity to human NK3 H316W mutant expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
2132 10516 58 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
11490769 90311 0 None -6 2 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 90311 0 None -6 2 Human 8.6 pKd = 8.6 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 10516 58 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.5 pKd = 8.5 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
71453994 90309 0 None -10 2 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 90309 0 None -10 2 Human 7.7 pKd = 7.7 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 10516 58 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 6.6 pKd = 6.6 Binding
Competitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 H316W6.52 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 7.5 pKd = 7.5 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71455736 90312 0 None -6 2 Human 7.4 pKd = 7.4 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 90312 0 None -6 2 Human 7.4 pKd = 7.4 Binding
Competitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y315F6.51 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44241723 90307 0 None -12 2 Human 7.3 pKd = 7.3 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 7.3 pKd = 7.3 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 10516 58 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 8.2 pKd = 8.2 Binding
Competitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at human NK3 Y247F5.38 mutant expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71455736 90312 0 None -6 2 Human 7.0 pKd = 7.0 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 90312 0 None -6 2 Human 7.0 pKd = 7.0 Binding
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 minsCompetitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2110 9743 38 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
219077 9743 38 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
3480 9743 38 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL346178 9743 38 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
DB04872 9743 38 None -3 6 Human 9.7 pKi = 9.7 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2013.12.033
44241723 90307 0 None -12 2 Human 9.7 pKi = 9.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 9.7 pKi = 9.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2106 10319 4 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
9875034 10319 4 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
CHEMBL77023 10319 4 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 10.1016/s0960-894x(02)00462-6
44315483 103374 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 13 2 7 5.0 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL263243 103374 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 13 2 7 5.0 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN([C@H](CO)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9810544 211571 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 12 1 6 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL74956 211571 0 None 1 3 Human 9.5 pKi = 9.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 12 1 6 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)(C)C(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL583102 222560 6 None 5248 2 Human 9.5 pKi = 9.5 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL None None None CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O 10.1021/jm900948q
53239457 150215 0 None - 1 Human 9.5 pKi = 9.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3898211 150215 0 None - 1 Human 9.5 pKi = 9.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
24851680 111385 0 None - 1 Human 9.4 pKi = 9.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3104783 111385 0 None - 1 Human 9.4 pKi = 9.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
9831546 211954 0 None -1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 698 12 1 6 5.6 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78284 211954 0 None -1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 698 12 1 6 5.6 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(N)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9853636 212229 0 None 1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 762 14 1 7 5.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL80355 212229 0 None 1 3 Human 9.4 pKi = 9.4 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 762 14 1 7 5.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CCNS(C)(=O)=O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 9743 38 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.4 pKi = 9.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
9810434 111160 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 1 6 6.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL310273 111160 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 1 6 6.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(C)(C)O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
101195489 162399 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9875056 162399 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL404599 162399 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 713 12 3 7 6.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=N)NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9961955 179552 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 11 0 7 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL451235 179552 0 None 1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 726 11 0 7 6.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9831707 211806 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 718 11 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76965 211806 0 None -1 3 Human 9.3 pKi = 9.3 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 718 11 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(c3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.3 pKi = 9.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
53246866 151047 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3904926 151047 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245786 154360 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3930976 154360 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53245788 157988 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 0 6 6.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3959922 157988 0 None - 1 Human 9.3 pKi = 9.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 0 6 6.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
25195470 111387 0 None - 1 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/ml400528y
CHEMBL3104785 111387 0 None - 1 Human 9.3 pKi = 9.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/ml400528y
9917970 211732 0 None 1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 683 11 0 5 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76437 211732 0 None 1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 683 11 0 5 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C(C)C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
2110 9743 38 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None 1 6 Guinea pig 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
2110 9743 38 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 9.2 pKi = 9.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
71457524 90308 0 None 5 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203705 90308 0 None 5 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
71452185 90310 0 None 2 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203707 90310 0 None 2 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246388 160648 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3982917 160648 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
9831075 211932 0 None -1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 657 10 1 6 6.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78132 211932 0 None -1 3 Human 9.2 pKi = 9.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 657 10 1 6 6.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(O)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44241710 90306 1 None -3 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11490769 90311 0 None -6 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 90311 0 None -6 2 Human 9.2 pKi = 9.2 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246864 151737 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3910487 151737 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246387 156857 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3950819 156857 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312661 156867 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 7 0 7 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3950885 156867 0 None - 1 Human 9.2 pKi = 9.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 7 0 7 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889693 13724 0 None 1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084523 13724 0 None 1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2090 9543 25 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
5311312 9543 25 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
CHEMBL437797 9543 25 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
9852630 211632 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 655 10 0 5 6.8 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75598 211632 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 655 10 0 5 6.8 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(C)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
9896757 211760 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 732 12 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76580 211760 0 None -1 3 Human 9.1 pKi = 9.1 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 732 12 0 6 7.7 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccccn3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10370066 179557 1 None -1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 540 7 1 5 5.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL45129 179557 1 None -1 2 Human 9.1 pKi = 9.1 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 540 7 1 5 5.9 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
2110 9743 38 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
219077 9743 38 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
3480 9743 38 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
CHEMBL346178 9743 38 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
DB04872 9743 38 None 1 6 Guinea pig 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm900948q
25221995 203630 0 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 203630 0 None 1 4 Human 9.1 pKi = 9.1 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
53246990 149944 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3895968 149944 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 6 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247609 150810 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3902998 150810 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53245787 156088 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 7 1 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3944874 156088 0 None - 1 Human 9.1 pKi = 9.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 7 1 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
44216236 13279 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 603 9 2 5 6.2 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1082737 13279 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 603 9 2 5 6.2 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889698 13704 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084439 13704 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889667 13645 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 617 10 2 5 6.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084165 13645 0 None 1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 617 10 2 5 6.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2132 10516 58 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
5311424 10516 58 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL10188 10516 58 None 1 6 Human 9.0 pKi = 9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
11569867 189884 1 None - 1 Human 9.0 pKi = 9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 517 8 1 4 5.3 CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
CHEMBL479463 189884 1 None - 1 Human 9.0 pKi = 9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 517 8 1 4 5.3 CN(Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
71455736 90312 0 None -6 2 Human 9.0 pKi = 9 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 90312 0 None -6 2 Human 9.0 pKi = 9 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53246505 154056 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3928796 154056 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247231 154918 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3935468 154918 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
58312612 155537 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3940476 155537 0 None - 1 Human 9.0 pKi = 9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889696 13702 0 None -1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084437 13702 0 None -1 2 Human 9.0 pKi = 9.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
2110 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
219077 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
3480 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
CHEMBL346178 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
DB04872 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm9602423
2110 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
219077 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
3480 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
CHEMBL346178 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
DB04872 9743 38 None -3 6 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm980633c
44266459 11293 0 None 91 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 5.4 CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10224 11293 0 None 91 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 5.4 CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10744541 108119 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 520 8 1 4 6.6 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL296857 108119 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 520 8 1 4 6.6 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
10840329 123743 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL33868 123743 0 None 1 3 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
71452185 90310 0 None 2 2 Human 8.9 pKi = 8.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203707 90310 0 None 2 2 Human 8.9 pKi = 8.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 690 7 1 6 5.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44570937 198540 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL519770 198540 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
44570936 199362 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2008.12.005
CHEMBL521416 199362 0 None - 1 Human 8.9 pKi = 8.9 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 505 8 1 4 5.3 CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 10.1016/j.bmcl.2008.12.005
9831674 111188 0 None -1 3 Human 8.9 pKi = 8.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 712 12 1 6 5.9 CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
CHEMBL310334 111188 0 None -1 3 Human 8.9 pKi = 8.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 712 12 1 6 5.9 CNC(=O)CN1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
10691318 174392 4 None 102 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL430118 174392 4 None 102 2 Human 8.9 pKi = 8.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2132 10516 58 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
5311424 10516 58 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
CHEMBL10188 10516 58 None 1 6 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm000501v
10792233 183194 0 None -1 2 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 526 7 1 4 5.9 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
CHEMBL45961 183194 0 None -1 2 Human 8.9 pKi = 8.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 526 7 1 4 5.9 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
46889695 13701 0 None -2 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084436 13701 0 None -2 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 615 6 2 5 6.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
44266493 174187 0 None 53 2 Human 8.8 pKi = 8.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 426 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL429615 174187 0 None 53 2 Human 8.8 pKi = 8.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 426 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11800732 187375 0 None 3 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47544 187375 0 None 3 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 546 8 1 4 7.2 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53322353 65084 0 None - 1 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 579 8 1 4 6.3 COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682668 65084 0 None - 1 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 579 8 1 4 6.3 COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
71457524 90308 0 None 5 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203705 90308 0 None 5 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 597 6 1 4 7.1 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
44570980 8662 7 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
5774 8662 7 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL480249 8662 7 None 6 2 Human 8.8 pKi = 8.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
2110 9743 38 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 9743 38 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 9743 38 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 9743 38 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 9743 38 None -3 6 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
25221995 203630 0 None -1 4 Guinea pig 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 203630 0 None -1 4 Guinea pig 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
53245785 159241 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 652 6 0 5 7.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3970996 159241 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 652 6 0 5 7.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
9830361 188405 0 None 1 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47739 188405 0 None 1 3 Human 8.8 pKi = 8.8 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 538 7 1 4 7.1 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
44241723 90307 0 None -12 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 8.8 pKi = 8.8 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
2132 10516 58 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.8 pKi = 8.8 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
89732751 157094 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 8 1 6 5.2 CCC(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3952910 157094 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 8 1 6 5.2 CCC(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312659 159781 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3975390 159781 0 None - 1 Human 8.8 pKi = 8.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 610 7 0 6 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
10668461 86238 0 None 181 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113673 86238 0 None 181 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10696939 188377 0 None 3 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 506 8 1 4 6.3 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47713 188377 0 None 3 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 506 8 1 4 6.3 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53317094 65092 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682676 65092 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
25221995 203630 0 None -1 4 Guinea pig 8.7 pKi = 8.7 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
CHEMBL565894 203630 0 None -1 4 Guinea pig 8.7 pKi = 8.7 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 601 8 0 3 6.5 CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)C(C)(CCN1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm900948q
44241723 90307 0 None -12 2 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53245911 157304 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3954617 157304 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 602 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
2110 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
219077 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
3480 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL346178 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
DB04872 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
9872857 188533 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 498 7 1 4 6.1 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
CHEMBL47775 188533 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 498 7 1 4 6.1 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 10.1021/jm000501v
53317679 65099 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 611 9 0 5 3.2 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CC(N2CCN(S(=O)(=O)N(C)C)CC2)C1 10.1016/j.bmcl.2010.12.135
CHEMBL1682683 65099 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 611 9 0 5 3.2 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CC(N2CCN(S(=O)(=O)N(C)C)CC2)C1 10.1016/j.bmcl.2010.12.135
10762413 190635 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 381 5 2 3 5.4 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL480818 190635 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 381 5 2 3 5.4 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
53472113 125636 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3422009 125636 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/acsmedchemlett.5b00117
10177878 25517 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 5.4 CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277808 25517 0 None - 1 Human 8.7 pKi = 8.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 5.4 CCC(NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2132 10516 58 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
5311424 10516 58 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL10188 10516 58 None 1 6 Human 8.7 pKi = 8.7 Binding
Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cellsDisplacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2013.12.033
53472113 125636 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 125636 0 None 1 5 Human 8.7 pKi = 8.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
71549913 125634 0 None 588 3 Human 8.0 pKi = 8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422007 125634 0 None 588 3 Human 8.0 pKi = 8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
15508105 211610 0 None -10 3 Human 8.0 pKi = 8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 675 10 1 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75422 211610 0 None -10 3 Human 8.0 pKi = 8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 675 10 1 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
25195091 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
5773 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL480628 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
44570935 190792 0 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 410 5 1 2 6.2 Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL482006 190792 0 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 410 5 1 2 6.2 Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
3946663 105346 11 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL276666 105346 11 None - 1 Human 8.0 pKi = 8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
57414490 137209 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680190 137209 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
25181433 25540 0 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
CHEMBL1277972 25540 0 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
3946663 105346 11 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL276666 105346 11 None - 1 Human 8.0 pKi = 8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.1 CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71549913 125634 0 None 588 3 Human 8.0 pKi = 8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422007 125634 0 None 588 3 Human 8.0 pKi = 8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 6 4.6 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53247234 155720 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 601 6 0 4 6.1 CC1(C(=O)N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)CC1 nan
CHEMBL3941956 155720 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 601 6 0 4 6.1 CC1(C(=O)N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)CC1 nan
53246273 156032 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 568 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3944374 156032 0 None - 1 Human 8.0 pKi = 8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 568 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
44550460 203816 0 None 1 4 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None 1 4 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
57414216 137196 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.2 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
CHEMBL3680178 137196 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.2 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
57414760 137218 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680199 137218 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
58046462 132596 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 489 5 0 4 4.7 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648205 132596 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 489 5 0 4 4.7 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
2132 10516 58 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
10600296 86245 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 466 8 2 4 5.3 CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113682 86245 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 466 8 2 4 5.3 CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2110 9743 38 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 8.0 pKi = 8.0 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
44315297 211646 0 None -9 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 833 15 1 8 8.0 CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
CHEMBL75698 211646 0 None -9 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 833 15 1 8 8.0 CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O 10.1016/s0960-894x(02)00462-6
81689815 129766 0 None 20 2 Human 7.0 pKi = 7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 129766 0 None 20 2 Human 7.0 pKi = 7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
129625879 151362 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 151362 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86275448 167560 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
CHEMBL4114258 167560 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 370 3 0 8 2.3 COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 nan
86274362 125632 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422005 125632 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 357 2 0 6 3.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)cs1 10.1021/jm5017413
52947688 24934 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 648 5 0 4 4.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269641 24934 0 None - 1 Human 7.0 pKi = 7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 648 5 0 4 4.6 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
10596000 104956 5 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL273975 104956 5 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10835383 215067 0 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9898 215067 0 None - 1 Human 6.0 pKi = 6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10596000 104956 5 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL273975 104956 5 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
10835383 215067 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9898 215067 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
73212439 111384 0 None -10 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 545 8 2 4 4.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104782 111384 0 None -10 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 545 8 2 4 4.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
90644630 118721 0 None -50 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 725 13 2 6 6.2 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3288166 118721 0 None -50 2 Human 6.0 pKi = 6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 725 13 2 6 6.2 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
53319707 65068 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682652 65068 0 None - 1 Human 6.0 pKi = 6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 10.1016/j.bmcl.2010.12.135
122187066 129763 0 None - 1 Human 5.0 pKi = 5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
CHEMBL3608681 129763 0 None - 1 Human 5.0 pKi = 5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 10.1021/acsmedchemlett.5b00117
73212590 111375 0 None - 1 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 409 8 2 4 2.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104769 111375 0 None - 1 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 409 8 2 4 2.3 CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212519 111376 0 None -12 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 517 8 2 4 3.6 O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104773 111376 0 None -12 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 517 8 2 4 3.6 O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212518 111377 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 489 8 3 3 4.2 CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104774 111377 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 489 8 3 3 4.2 CNCCNC(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212517 111378 0 None -31 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 475 7 3 3 3.9 CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104775 111378 0 None -31 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 475 7 3 3 3.9 CC(C)(C(=O)N[C@H](C(=O)NCCN)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
73212515 111381 0 None -125 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104778 111381 0 None -125 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 10.1016/j.bmcl.2013.12.033
73212440 111382 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 558 8 2 4 4.2 CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 10.1016/j.bmcl.2013.12.033
CHEMBL3104780 111382 0 None -39 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 558 8 2 4 4.2 CN1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 10.1016/j.bmcl.2013.12.033
73212437 111388 0 None -630 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
CHEMBL3104786 111388 0 None -630 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 559 8 1 4 4.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 10.1016/j.bmcl.2013.12.033
90644616 119513 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288159 119513 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304856 119513 0 None -25 2 Human 5.0 pKi = 5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
86272343 166717 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4107267 166717 0 None - 1 Human 7.0 pKi = 7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
44315267 112282 0 None -40 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 701 11 1 7 8.5 CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL312141 112282 0 None -40 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 701 11 1 7 8.5 CO/N=C(\CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10640904 174825 0 None - 1 Human 5.0 pKi = 5.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 340 5 1 3 5.5 COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL432321 174825 0 None - 1 Human 5.0 pKi = 5.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 340 5 1 3 5.5 COc1ccc2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
44266600 11431 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 6 1 3 4.9 CN(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10314 11431 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 6 1 3 4.9 CN(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11795836 108681 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 0 4 4.9 COC(=O)C(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL300869 108681 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 0 4 4.9 COC(=O)C(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549503 167329 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4112531 167329 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 431 4 0 7 4.8 C[C@@H]1c2nnc(-c3coc(C4CC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549360 167368 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112776 167368 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 429 4 0 6 4.8 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
44315390 211821 0 None -8 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 733 12 1 8 7.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL77042 211821 0 None -8 3 Human 8.0 pKi = 8.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 733 12 1 8 7.1 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
86272102 129770 0 None 9 2 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3608688 129770 0 None 9 2 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86274487 166868 0 None 691 3 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4108583 166868 0 None 691 3 Human 8.0 pKi = 8.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]3C)n1 nan
53324284 65051 0 None - 1 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682635 65051 0 None - 1 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
56591943 132604 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 542 6 0 5 5.9 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648213 132604 0 None - 1 Human 8.0 pKi = 8.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 542 6 0 5 5.9 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10303099 14049 0 None -9 2 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 559 7 2 4 6.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1086003 14049 0 None -9 2 Human 8.0 pKi = 8.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 559 7 2 4 6.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
56592200 132610 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 555 7 0 7 5.1 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1 nan
CHEMBL3648219 132610 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 555 7 0 7 5.1 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1 nan
57414623 137211 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.6 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680192 137211 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.6 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
68089265 137200 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.6 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
CHEMBL3680181 137200 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.6 CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 nan
44315370 211618 0 None -11 3 Human 7.9 pKi = 7.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 789 14 0 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75479 211618 0 None -11 3 Human 7.9 pKi = 7.9 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 789 14 0 7 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(CC(=O)OCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44550460 203816 0 None -1 4 Guinea pig 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None -1 4 Guinea pig 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
71453994 90309 0 None -10 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 90309 0 None -10 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
86275449 129764 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL3608682 129764 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53322347 65081 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccsc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682665 65081 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccsc2)CC1 10.1016/j.bmcl.2010.12.135
8867347 67377 5 None 6 4 Human 6.0 pKi = 6.0 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 67377 5 None 6 4 Human 6.0 pKi = 6.0 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53245909 153416 0 None - 1 Human 7.0 pKi = 7.0 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 632 6 0 5 7.0 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3923464 153416 0 None - 1 Human 7.0 pKi = 7.0 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 632 6 0 5 7.0 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44266500 11407 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 367 5 2 3 4.3 NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10295 11407 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 367 5 2 3 4.3 NC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10716491 107910 7 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 6 1 4 4.4 COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL295270 107910 7 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 6 1 4 4.4 COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549767 125645 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 125645 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
53246271 167078 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)C3)CC2)nc1 nan
CHEMBL4110450 167078 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)C3)CC2)nc1 nan
10833965 108692 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300967 108692 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549638 166946 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4109230 166946 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
53326273 65046 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682630 65046 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53317092 65087 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 564 8 2 3 5.6 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NC(N)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682671 65087 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 564 8 2 3 5.6 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NC(N)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
53323716 65095 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682679 65095 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 560 8 0 4 4.3 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
53246032 153329 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3922783 153329 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 587 6 0 6 5.6 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247361 154305 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 664 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3930679 154305 0 None - 1 Human 7.9 pKi = 7.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 664 6 0 5 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
11467400 13278 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 587 8 1 4 7.2 CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1082735 13278 0 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 587 8 1 4 7.2 CCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
44241710 90306 1 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 7.9 pKi = 7.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
10223181 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10512 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
71533722 125638 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 125638 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
10223181 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL10512 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
53472113 125636 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 125636 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
118735353 125635 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422008 125635 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 416 3 0 7 4.0 Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
71533722 125638 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 125638 0 None 1 5 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
57414879 137215 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 5.0 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1 nan
CHEMBL3680196 137215 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 5.0 COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1 nan
54580928 67374 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760198 67374 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
8867347 67377 5 None -10 4 Rat 4.9 pKi = 4.9 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760200 67377 5 None -10 4 Rat 4.9 pKi = 4.9 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 362 4 1 4 3.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10430798 201581 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 395 5 1 3 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53884 201581 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 395 5 1 3 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm960818o
9849950 108147 0 None -64 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 8 1 4 5.3 CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
CHEMBL297086 108147 0 None -64 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 8 1 4 5.3 CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
2132 10516 58 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 6.9 pKi = 6.9 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
10501724 200162 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52537 200162 0 None - 1 Human 5.9 pKi = 5.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1 10.1021/jm960818o
86275449 129764 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608682 129764 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 342 2 0 7 2.0 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71549767 125645 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 125645 0 None -4 3 Rat 6.9 pKi = 6.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644632 118723 0 None -7 2 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 698 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288168 118723 0 None -7 2 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 698 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
9956370 180501 0 None -301 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 1 4 5.5 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 10.1021/jm000501v
CHEMBL45362 180501 0 None -301 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 1 4 5.5 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 10.1021/jm000501v
9958115 180278 0 None -6309 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 514 6 1 3 5.2 C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
CHEMBL453054 180278 0 None -6309 2 Human 5.9 pKi = 5.9 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 514 6 1 3 5.2 C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
122187068 129767 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608685 129767 0 None - 1 Human 5.9 pKi = 5.9 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 344 2 0 7 2.2 C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
9853827 91996 0 None -7943 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 790 10 6 8 1.5 O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 10.1021/jm040832y
CHEMBL225588 91996 0 None -7943 3 Human 5.9 pKi = 5.9 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 790 10 6 8 1.5 O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 10.1021/jm040832y
53482949 125619 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421989 125619 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 381 3 0 5 3.7 O=C(c1ccc(-c2ccccc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
90644606 119567 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288154 119567 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305869 119567 0 None -6 2 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10222132 10992 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 392 4 1 2 6.1 O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10031 10992 0 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 392 4 1 2 6.1 O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
5764 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
6604858 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
CHEMBL9843 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
57414621 137204 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.9 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3680185 137204 0 None - 1 Human 7.9 pKi = 7.9 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.9 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
53472113 125636 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 125636 0 None -6 5 Rat 7.9 pKi = 7.9 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
53322346 65057 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682641 65057 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
5764 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
6604858 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
CHEMBL9843 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm960818o
6604014 214627 7 None 28 2 Human 7.9 pKi = 7.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL9643 214627 7 None 28 2 Human 7.9 pKi = 7.9 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
10223181 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL10512 11793 0 None - 1 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 408 7 1 2 6.7 CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
1760287 11068 2 None 2 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10079 11068 2 None 2 2 Human 7.9 pKi = 7.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
52949416 25157 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 592 5 0 4 4.3 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
CHEMBL1271297 25157 0 None - 1 Human 5.9 pKi = 5.9 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 592 5 0 4 4.3 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 10.1016/j.bmcl.2010.08.138
58312640 156452 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 600 6 1 5 3.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3947546 156452 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 600 6 1 5 3.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10272462 108595 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300249 108595 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
1981061 105118 9 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 414 5 1 2 6.4 O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL275095 105118 9 None - 1 Human 6.9 pKi = 6.9 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 414 5 1 2 6.4 O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
53247360 167026 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4109981 167026 0 None - 1 Human 6.9 pKi = 6.9 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53326864 65044 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(NC(C)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682629 65044 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(NC(C)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
53318370 65063 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682647 65063 0 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53323702 65070 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682654 65070 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1 10.1016/j.bmcl.2010.12.135
53317083 65079 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 557 8 1 5 4.6 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682663 65079 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 557 8 1 5 4.6 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 10.1016/j.bmcl.2010.12.135
53326280 65101 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 7 1 2 5.0 CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682685 65101 0 None - 1 Human 6.9 pKi = 6.9 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 7 1 2 5.0 CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
10740312 108585 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL300180 108585 0 None - 1 Human 6.9 pKi = 6.9 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 410 5 1 4 4.9 COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10572714 11805 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10517 11805 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56591944 132599 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 529 6 0 4 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648208 132599 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 529 6 0 4 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
56592033 132600 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 538 6 0 5 6.0 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
CHEMBL3648209 132600 0 None - 1 Human 7.8 pKi = 7.8 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 538 6 0 5 6.0 Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
86274488 167496 0 None 1584 2 Human 7.8 pKi = 7.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4113741 167496 0 None 1584 2 Human 7.8 pKi = 7.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53318369 65052 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682636 65052 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
53246740 154612 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 557 6 0 4 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3932960 154612 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 557 6 0 4 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
46889668 13347 0 None -8 2 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 5 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1083051 13347 0 None -8 2 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 5 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC(O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
10202481 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL415968 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
44570858 189871 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL479449 189871 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
10202481 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL415968 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10202481 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL415968 168797 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 422 8 1 2 7.1 CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
10526297 86246 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 6 2 3 5.7 CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113683 86246 0 None - 1 Human 7.8 pKi = 7.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 6 2 3 5.7 CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86275210 149888 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL3895534 149888 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CCC1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
86275450 166687 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
CHEMBL4107016 166687 0 None - 1 Human 6.8 pKi = 6.8 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 365 2 0 8 2.2 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 nan
53322354 65100 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 8 1 2 5.0 CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682684 65100 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 422 8 1 2 5.0 CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2010.12.135
10572714 11805 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10517 11805 0 None - 1 Human 6.8 pKi = 6.8 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 7 1 2 6.6 CCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
52947724 25441 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 7 1 1 7.2 CCCCC(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277075 25441 0 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 7 1 1 7.2 CCCCC(NC(=O)c1cc(-c2ccccc2)cc2ccccc12)c1ccccc1 10.1021/jm1010012
53482947 125624 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421996 125624 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 405 3 1 6 3.0 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735350 125629 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
CHEMBL3422001 125629 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 10.1021/jm5017413
90644604 119521 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288153 119521 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305011 119521 0 None -12 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 2 6 5.3 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
90644622 119522 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288162 119522 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305013 119522 0 None -25 2 Human 5.8 pKi = 5.8 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.6 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
118735348 125623 0 None - 1 Human 4.8 pKi = 4.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
CHEMBL3421995 125623 0 None - 1 Human 4.8 pKi = 4.8 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 385 3 0 6 3.6 Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1 10.1021/jm5017413
71533722 125638 0 None 1 5 Human 7.8 pKi = 7.8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL3422010 125638 0 None 1 5 Human 7.8 pKi = 7.8 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
53323699 65056 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682640 65056 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53246742 157282 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3954483 157282 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53245913 156241 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 1 5 3.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3946054 156241 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 1 5 3.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
54584910 67440 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760336 67440 0 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(F)c3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
52943090 24933 0 None -79 2 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 666 5 0 4 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269640 24933 0 None -79 2 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 666 5 0 4 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
44266517 11006 0 None - 1 Human 5.8 pKi = 5.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 4.5 O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10039 11006 0 None - 1 Human 5.8 pKi = 5.8 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 4.5 O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
44315591 211753 0 None -69 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 746 13 1 8 6.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76529 211753 0 None -69 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 746 13 1 8 6.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(N)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10291688 201529 0 None - 1 Human 5.8 pKi = 5.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 4 1 3 5.2 COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL53699 201529 0 None - 1 Human 5.8 pKi = 5.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 4 1 3 5.2 COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
53323715 65093 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 548 9 0 4 4.1 CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682677 65093 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 548 9 0 4 4.1 CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53247363 154775 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3934266 154775 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312617 149632 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 640 7 0 5 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)N(C(C)C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3893276 149632 0 None - 1 Human 7.8 pKi = 7.8 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 640 7 0 5 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)N(C(C)C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315422 109916 0 None -74 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 13 1 8 7.5 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307877 109916 0 None -74 3 Human 6.8 pKi = 6.8 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 13 1 8 7.5 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
1760285 215169 3 None 13 2 Human 7.8 pKi = 7.8 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 366 5 1 2 5.8 CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL9960 215169 3 None 13 2 Human 7.8 pKi = 7.8 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 366 5 1 2 5.8 CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
53320999 65042 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682627 65042 0 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
11797202 195562 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 4 1 4 5.0 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1 10.1021/jm960818o
CHEMBL50571 195562 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 4 1 4 5.0 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1 10.1021/jm960818o
10716102 196485 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 10.1021/jm960818o
CHEMBL51552 196485 0 None - 1 Human 6.8 pKi = 6.8 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 10.1021/jm960818o
3245625 27216 11 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1306947 27216 11 None - 1 Human 5.8 pKi = 5.8 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 397 4 0 5 4.0 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 10.1016/j.bmcl.2011.02.033
10693708 201327 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52960 201327 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549363 158471 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3964222 158471 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
86274489 129769 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
CHEMBL3608687 129769 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 nan
56591856 132605 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 558 6 0 5 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648214 132605 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 558 6 0 5 6.4 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
44241723 90307 0 None -12 2 Human 7.7 pKi = 7.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 7.7 pKi = 7.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316F mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
86274489 129769 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608687 129769 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71533722 125638 0 None -1 5 Rhesus macaque 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 125638 0 None -1 5 Rhesus macaque 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
71549769 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644628 119511 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3288165 119511 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3304854 119511 0 None -1 2 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 3 6 5.4 CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
2132 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
5311424 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL10188 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
54584911 67447 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760349 67447 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 394 4 1 3 4.3 CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53325566 65075 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C#N)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682659 65075 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C#N)c2)CC1 10.1016/j.bmcl.2010.12.135
52946726 24931 0 None -173 2 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 607 8 2 4 4.5 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1269638 24931 0 None -173 2 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 607 8 2 4 4.5 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N(CCO)CCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
10597773 195489 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 10.1021/jm960818o
CHEMBL50453 195489 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 10.1021/jm960818o
5769 10297 5 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
9806459 10297 5 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
CHEMBL295770 10297 5 None -194 2 Human 6.7 pKi = 6.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 512 6 1 4 6.5 O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C 10.1021/jm000501v
2132 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
10155886 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL9961 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
122187069 129768 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608686 129768 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 372 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 10.1021/acsmedchemlett.5b00117
10155886 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL9961 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
2132 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 10516 58 None -17 6 Rat 6.7 pKi = 6.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
67452845 125620 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421990 125620 0 None - 1 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 399 3 0 5 3.8 O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
90644618 119540 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288160 119540 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305331 119540 0 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
2115 8628 19 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
9953599 8628 19 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
CHEMBL2110370 8628 19 None -199526 3 Guinea pig 4.7 pKi = 4.7 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 414 7 1 3 4.1 COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1 10.1016/S0960-894X(01)80541-2
10151946 87140 0 None -1995 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 474 6 2 3 5.0 CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL214388 87140 0 None -1995 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 474 6 2 3 5.0 CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
9961936 109866 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 723 12 1 8 5.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307498 109866 0 None -2 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 723 12 1 8 5.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3nn[nH]n3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10790452 86243 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 468 9 1 5 5.7 CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 10.1021/jm980633c
CHEMBL2113680 86243 0 None - 1 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 468 9 1 5 5.7 CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 10.1021/jm980633c
53247117 150868 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3903457 150868 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246617 150978 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 582 6 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3904320 150978 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 582 6 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246618 151098 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3905385 151098 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53247115 151980 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3912486 151980 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245784 152021 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3912773 152021 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53245781 152023 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3912790 152023 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53246503 152950 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3919899 152950 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247605 153917 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3927694 153917 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247604 154064 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928874 154064 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247231 154918 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3935468 154918 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53246741 154975 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3935853 154975 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 6 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246502 155194 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3937691 155194 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247482 157402 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 533 5 0 4 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3955374 157402 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 533 5 0 4 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247237 157571 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3956685 157571 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247116 167265 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 641 6 0 4 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL4111953 167265 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 641 6 0 4 6.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
57412055 137205 0 None - 1 Human 8.7 pKi = 8.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680186 137205 0 None - 1 Human 8.7 pKi = 8.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2110 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 8.7 pKi = 8.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
58312637 157441 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 555 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3955673 157441 0 None - 1 Human 8.7 pKi = 8.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 555 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315298 109888 0 None -1 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 721 12 0 6 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL307733 109888 0 None -1 3 Human 8.7 pKi = 8.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 721 12 0 6 7.9 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccoc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
44266422 11214 0 None 79 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 7 1 3 5.8 CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10162 11214 0 None 79 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 423 7 1 3 5.8 CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
44266599 11418 0 None 97 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 440 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10303 11418 0 None 97 2 Human 8.7 pKi = 8.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 440 8 2 4 5.2 CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10812218 178851 0 None 79 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 423 7 1 3 5.8 CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL44722 178851 0 None 79 3 Human 8.7 pKi = 8.7 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 423 7 1 3 5.8 CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
54768041 132602 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 548 6 0 5 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648211 132602 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 548 6 0 5 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
23653789 10359 24 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
9280 10359 24 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
CHEMBL447955 10359 24 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
DB12973 10359 24 None -1 2 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptorBinding affinity to human NK3 receptor
ChEMBL 555 5 0 3 7.7 O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F 10.1021/jm8016514
44266510 105052 0 None - 1 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 8 1 4 5.3 CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274629 105052 0 None - 1 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 8 1 4 5.3 CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
133090 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL275544 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
11490769 90311 0 None -6 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203708 90311 0 None -6 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 660 6 0 5 6.3 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
58312632 159745 0 None - 1 Human 8.6 pKi = 8.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3975174 159745 0 None - 1 Human 8.6 pKi = 8.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
71453994 90309 0 None -10 2 Human 8.6 pKi = 8.6 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203706 90309 0 None -10 2 Human 8.6 pKi = 8.6 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y315F6.51 mutant expressed in HEK293 cells
ChEMBL 583 5 1 4 6.7 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
133090 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL275544 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
133090 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL275544 105199 20 None 9 3 Human 8.6 pKi = 8.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
118735355 125642 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422014 125642 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 449 4 0 7 5.5 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
90644631 118722 0 None 12 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 684 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288167 118722 0 None 12 2 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 684 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
25222441 203920 0 None -1 4 Guinea pig 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 203920 0 None -1 4 Guinea pig 8.6 pKi = 8.6 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
57414622 137214 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680195 137214 0 None - 1 Human 8.6 pKi = 8.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53319719 65085 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 592 8 1 3 6.2 CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682669 65085 0 None - 1 Human 8.6 pKi = 8.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 592 8 1 3 6.2 CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
44241710 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Binding affinity to wild type human NK3 receptorBinding affinity to wild type human NK3 receptor
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Binding affinity to wild type human NK3 receptorBinding affinity to wild type human NK3 receptor
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
57414996 137225 0 None - 1 Human 8.5 pKi = 8.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680206 137225 0 None - 1 Human 8.5 pKi = 8.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
44241710 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
11296094 13203 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 7 1 4 6.8 CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1082415 13203 0 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 7 1 4 6.8 CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
89493243 155376 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3939146 155376 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
44315369 109796 0 None -13 3 Human 7.7 pKi = 7.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 10 0 7 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306952 109796 0 None -13 3 Human 7.7 pKi = 7.7 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 10 0 7 7.5 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(C)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
86274490 166665 0 None 1000 3 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4106866 166665 0 None 1000 3 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]3C)n1 nan
57414999 137228 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.4 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680209 137228 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 618 5 0 5 6.4 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
54582966 67436 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760332 67436 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 490 6 1 4 5.4 O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1 10.1016/j.bmcl.2011.02.033
44216344 65041 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682626 65041 0 None - 1 Human 7.7 pKi = 7.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414217 137197 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680179 137197 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
153996 119445 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
CHEMBL330366 119445 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
CHEMBL539021 119445 2 None -660 3 Human 6.7 pKi = 6.7 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 639 10 1 6 5.7 COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 10.1016/s0960-894x(01)00572-8
44241710 90306 1 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 5.7 pKi = 5.7 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
81689815 129766 0 None -20 2 Rat 5.7 pKi = 5.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608684 129766 0 None -20 2 Rat 5.7 pKi = 5.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 344 2 0 7 1.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/acsmedchemlett.5b00117
10155886 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL9961 215171 0 None - 1 Human 6.7 pKi = 6.7 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 368 5 2 3 4.4 O=C(NC(CO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
71549768 167346 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
CHEMBL4112613 167346 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)sc1C nan
53245907 154044 0 None - 1 Human 7.7 pKi = 7.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928681 154044 0 None - 1 Human 7.7 pKi = 7.7 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
57415120 137229 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 4.8 COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 nan
CHEMBL3680210 137229 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 581 6 0 7 4.8 COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 nan
53319708 65074 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682658 65074 0 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 5.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2010.12.135
10173872 146052 0 None -5370 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL379073 146052 0 None -5370 2 Human 5.7 pKi = 5.7 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
10422 8415 34 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 8415 34 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 8415 34 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 8415 34 None -8 2 Rat 6.7 pKi = 6.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
71549914 167557 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4114218 167557 0 None - 1 Human 7.7 pKi = 7.7 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 417 3 1 7 4.0 C[C@@H]1c2nnc(-c3cccc(O)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
71549769 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
71549769 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 125646 0 None -6 5 Rat 7.7 pKi = 7.7 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
56592030 132597 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 503 7 0 4 5.8 CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648206 132597 0 None - 1 Human 7.7 pKi = 7.7 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 503 7 0 4 5.8 CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
9809876 26172 1 None -1288 3 Human 6.7 pKi = 6.7 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
CHEMBL129321 26172 1 None -1288 3 Human 6.7 pKi = 6.7 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
10739572 169120 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL416487 169120 0 None - 1 Human 5.7 pKi = 5.7 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549912 166764 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4107668 166764 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 409 3 0 5 4.5 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
10422 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
117604931 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
CHEMBL3608680 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
DB15669 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C nan
53319706 65058 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682642 65058 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53247478 166676 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4106959 166676 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
58312619 158417 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3963808 158417 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44315573 110573 0 None -70 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 707 12 1 7 8.3 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL308983 110573 0 None -70 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 707 12 1 7 8.3 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10788357 108732 0 None - 1 Human 6.6 pKi = 6.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 422 4 1 4 4.6 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 10.1021/jm960818o
CHEMBL301278 108732 0 None - 1 Human 6.6 pKi = 6.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 422 4 1 4 4.6 COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 10.1021/jm960818o
86274727 167562 0 None 912 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4114280 167562 0 None 912 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]3C)n1 nan
53326884 65047 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682631 65047 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 597 8 1 3 6.7 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53317082 65055 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682639 65055 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58046464 132586 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 456 5 0 5 4.8 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1 nan
CHEMBL3648196 132586 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 456 5 0 5 4.8 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1 nan
57415119 137224 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.7 Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3680205 137224 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 564 5 0 5 5.7 Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
54579947 67381 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
CHEMBL1760204 67381 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 424 4 1 4 4.5 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 10.1016/j.bmcl.2011.02.033
54586837 67437 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760333 67437 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 439 6 2 5 2.6 NC(=O)COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
86274732 129773 0 None -7 3 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 129773 0 None -7 3 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
58312655 166958 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4109299 166958 0 None - 1 Human 7.6 pKi = 7.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
11794168 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL268042 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10422 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
117604931 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
CHEMBL3608680 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
DB15669 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 10.1021/acsmedchemlett.5b00117
122187067 129765 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608683 129765 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 370 3 0 7 2.8 CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
11794168 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL268042 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71549767 125645 0 None 1 3 Rhesus macaque 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 125645 0 None 1 3 Rhesus macaque 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
67450880 125633 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3422006 125633 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 419 3 0 6 4.4 C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
71549767 125645 0 None -1 3 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422017 125645 0 None -1 3 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644635 119483 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288170 119483 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304460 119483 0 None -6 2 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.9 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
20906619 67442 7 None -1 4 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 67442 7 None -1 4 Rat 6.6 pKi = 6.6 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
20906619 67442 7 None 1 4 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760338 67442 7 None 1 4 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 396 4 1 4 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54584909 67439 0 None - 1 Human 5.6 pKi = 5.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760335 67439 0 None - 1 Human 5.6 pKi = 5.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
44570897 198732 0 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL520086 198732 0 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
2849628 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL274763 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
2849628 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL274763 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90644612 119497 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288157 119497 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304538 119497 0 None -3 2 Human 5.6 pKi = 5.6 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
2132 10516 58 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
5311424 10516 58 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
CHEMBL10188 10516 58 None 1 6 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm980633c
10113552 108491 0 None - 1 Human 5.6 pKi = 5.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL299518 108491 0 None - 1 Human 5.6 pKi = 5.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549218 166704 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4107180 166704 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 415 3 0 6 4.6 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
86275688 155086 0 None 794 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
CHEMBL3936869 155086 0 None 794 3 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3C)n1 nan
86274729 167692 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4115295 167692 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)n1 nan
86274728 167735 0 None 1380 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4115594 167735 0 None 1380 2 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)[C@@H]3C)n1 nan
10763631 201535 0 None - 1 Human 7.6 pKi = 7.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53765 201535 0 None - 1 Human 7.6 pKi = 7.6 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
56592117 132608 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1 nan
CHEMBL3648217 132608 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1 nan
54583921 67389 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760213 67389 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
2849628 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274763 105068 9 None - 1 Human 6.6 pKi = 6.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 352 4 1 2 5.4 CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53246744 160370 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 491 5 1 4 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3980572 160370 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 491 5 1 4 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCNCC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
56592115 132607 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 592 6 0 5 6.7 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648216 132607 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 592 6 0 5 6.7 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
11794168 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL268042 103934 0 None - 1 Human 7.6 pKi = 7.6 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 3 5.0 CC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321640 65069 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682653 65069 0 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 538 8 1 4 4.7 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C#N)cc2)CC1 10.1016/j.bmcl.2010.12.135
57414758 137216 0 None - 1 Human 6.6 pKi = 6.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680197 137216 0 None - 1 Human 6.6 pKi = 6.6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
53247233 156037 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 617 7 0 4 6.6 CC(C)CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3944417 156037 0 None - 1 Human 6.6 pKi = 6.6 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 617 7 0 4 6.6 CC(C)CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
86272100 158549 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3964898 158549 0 None - 1 Human 7.6 pKi = 7.6 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.7 CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
53321639 65054 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 609 9 1 4 6.8 CSc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682638 65054 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 609 9 1 4 6.8 CSc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
44315590 174587 0 None -93 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 774 14 1 8 7.5 CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 10.1016/s0960-894x(02)00462-6
CHEMBL430609 174587 0 None -93 3 Human 6.6 pKi = 6.6 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 774 14 1 8 7.5 CCNC(=O)Cn1c(=O)n(C2CCN(CC[C@@H](/C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 10.1016/s0960-894x(02)00462-6
71549767 125645 0 None -1 3 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422017 125645 0 None -1 3 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 406 3 0 8 3.6 Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
44315576 212024 0 None -22 3 Human 7.5 pKi = 7.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 12 0 9 7.2 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL78851 212024 0 None -22 3 Human 7.5 pKi = 7.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 12 0 9 7.2 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)OC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
53247484 160405 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3980824 160405 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
46889692 13700 0 None -12 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084435 13700 0 None -12 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
46889697 13703 0 None -32 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 643 8 0 5 7.6 COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1084438 13703 0 None -32 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 643 8 0 5 7.6 COC[C@@H]1C[C@@H](OC)CN1c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
53247607 160229 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3979381 160229 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
44266632 10978 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 400 5 1 2 6.4 CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10020 10978 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 400 5 1 2 6.4 CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
54579948 67393 0 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760217 67393 0 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 368 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10595071 11834 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 4 1 2 5.6 CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10536 11834 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 4 1 2 5.6 CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
52940879 25100 0 None -489 2 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 563 6 2 3 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
CHEMBL1270786 25100 0 None -489 2 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 563 6 2 3 4.8 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)NCCO)C[C@@H]1c1ccc(F)cc1 10.1016/j.bmcl.2010.08.138
57414624 137212 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 560 5 0 3 7.4 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680193 137212 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 560 5 0 3 7.4 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
90417914 125643 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL3422015 125643 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
71549770 167212 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4111525 167212 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.9 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
2132 10516 58 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None 1 6 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53246504 150914 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3903836 150914 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 6 0 6 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247602 151036 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3904868 151036 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247238 151690 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 631 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3910204 151690 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 631 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
58312683 153607 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 5 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3924945 153607 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 5 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53245783 155902 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3943287 155902 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247362 157527 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 614 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3956386 157527 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 614 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
25222441 203920 0 None 1 4 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 203920 0 None 1 4 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
44570898 190043 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL479652 190043 0 None - 1 Human 8.5 pKi = 8.5 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
71549769 125646 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3422018 125646 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
52943534 25554 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
CHEMBL1278058 25554 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
108147 10355 36 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
2127 10355 36 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
CHEMBL106124 10355 36 None -2 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL None None None None 10.1021/jm5017413
90417914 125643 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 125643 0 None 2 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 125646 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 125646 0 None 1 5 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
44315299 211790 0 None -2 3 Human 8.5 pKi = 8.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 737 12 0 6 8.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76823 211790 0 None -2 3 Human 8.5 pKi = 8.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 737 12 0 6 8.4 CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
10717843 107881 0 None 15 2 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 437 7 1 3 6.1 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL295059 107881 0 None 15 2 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 437 7 1 3 6.1 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53318389 65090 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 576 8 0 5 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682674 65090 0 None - 1 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 576 8 0 5 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
53245910 154532 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3932428 154532 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
58312629 160983 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3985905 160983 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 573 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
9825316 186287 0 None -1 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 456 6 2 4 5.0 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47412 186287 0 None -1 3 Human 8.5 pKi = 8.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 456 6 2 4 5.0 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
44241710 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 8.5 pKi = 8.5 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
58312653 152836 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 4 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3918999 152836 0 None - 1 Human 8.5 pKi = 8.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 577 6 0 4 5.2 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)cc1 nan
25222441 203920 0 None -1 4 Guinea pig 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567849 203920 0 None -1 4 Guinea pig 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 589 8 0 3 6.4 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
71455736 90312 0 None -6 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203709 90312 0 None -6 2 Human 8.5 pKi = 8.5 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 687 5 0 6 6.9 Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
53318388 65088 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 606 8 1 4 4.8 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(c2ccccc2)(N(C)C(=O)C(N)=O)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682672 65088 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 606 8 1 4 4.8 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(c2ccccc2)(N(C)C(=O)C(N)=O)CC1 10.1016/j.bmcl.2010.12.135
2132 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
58312645 151075 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(C)C)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3905215 151075 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 569 6 0 4 5.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(C)C)CC2)C[C@H]1c1ccc(Cl)cc1 nan
56591854 132601 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648210 132601 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53323714 65091 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 562 9 0 5 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682675 65091 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 562 9 0 5 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1 10.1016/j.bmcl.2010.12.135
2132 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
53245912 156916 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
CHEMBL3951326 156916 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 636 6 0 5 6.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 nan
2131 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
6604009 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
CHEMBL10284 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding affinity to human NK3 receptor by radioligand displacement assayBinding affinity to human NK3 receptor by radioligand displacement assay
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.ejmech.2013.01.044
57414487 137206 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680187 137206 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 574 5 0 5 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2132 10516 58 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None -1 6 Guinea pig 8.4 pKi = 8.4 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53247606 149848 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 1 6 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3895212 149848 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 626 7 1 6 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
44241710 90306 1 None -3 2 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203703 90306 1 None -3 2 Human 8.4 pKi = 8.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247F mutant expressed in HEK293 cells
ChEMBL 613 6 2 5 6.1 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
10000989 196598 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL516441 196598 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
44215995 25528 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277889 25528 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53472113 125636 0 None -1 5 Rhesus macaque 8.4 pKi = 8.4 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422009 125636 0 None -1 5 Rhesus macaque 8.4 pKi = 8.4 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 519 4 0 7 6.3 C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
86274730 167272 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
CHEMBL4112037 167272 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)[C@@H]3C)n1 nan
44266639 215182 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 384 5 1 2 5.9 CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9971 215182 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 384 5 1 2 5.9 CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
4529080 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
CHEMBL429951 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm9602423
44315421 112505 0 None -251 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 765 14 1 8 7.4 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL312612 112505 0 None -251 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 765 14 1 8 7.4 CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 10.1016/s0960-894x(02)00462-6
4529080 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL429951 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86274731 167452 0 None 1584 2 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
CHEMBL4113428 167452 0 None 1584 2 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)n1 nan
4529080 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL429951 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10552329 174823 0 None 1 3 Human 7.5 pKi = 7.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 2 4 5.5 C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL432301 174823 0 None 1 3 Human 7.5 pKi = 7.5 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 470 6 2 4 5.5 C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
67239132 158328 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 547 6 0 4 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCC(=O)N(C(C)C)C2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3963081 158328 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 547 6 0 4 5.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCC(=O)N(C(C)C)C2)C[C@H]1c1ccc(Cl)c(F)c1 nan
2932589 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10160 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
4529080 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL429951 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
86274732 129773 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608741 129773 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 10.1021/acsmedchemlett.5b00117
2932589 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL10160 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
4529080 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL429951 174272 7 None 93 2 Human 7.5 pKi = 7.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 5 1 4 4.5 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90417914 125643 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 125643 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
90644629 118436 0 None 1 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.8 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
CHEMBL3286415 118436 0 None 1 2 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 711 12 2 6 5.8 CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1021/ml400528y
57414759 137217 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680198 137217 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
54586802 67385 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760209 67385 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 446 5 1 5 3.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
44315231 112176 0 None -114 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 780 13 0 8 8.8 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL311712 112176 0 None -114 3 Human 6.5 pKi = 6.5 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 780 13 0 8 8.8 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10571967 105051 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 1 3 5.0 COCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL274628 105051 0 None - 1 Human 6.5 pKi = 6.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 1 3 5.0 COCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
90417750 125639 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
CHEMBL3422011 125639 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1 10.1021/jm5017413
3628880 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL10231 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
3628880 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL10231 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
71549634 167046 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
CHEMBL4110178 167046 0 None - 1 Human 7.5 pKi = 7.5 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 3 0 7 5.0 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 nan
86274732 129773 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
CHEMBL3608741 129773 0 None 7 3 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1 nan
90417914 125643 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 125643 0 None -10 5 Rat 7.5 pKi = 7.5 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
53323701 65061 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1cc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682645 65061 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1cc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 10.1016/j.bmcl.2010.12.135
53323703 65071 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682655 65071 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
67237922 152972 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 598 6 1 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3920077 152972 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 598 6 1 5 4.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53319705 65048 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682632 65048 0 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 593 9 1 4 6.0 COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
2932589 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10160 11209 11 None - 1 Human 7.5 pKi = 7.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
51351504 67383 1 None -9 4 Rat 5.5 pKi = 5.5 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 67383 1 None -9 4 Rat 5.5 pKi = 5.5 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
57414883 137223 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680204 137223 0 None - 1 Human 6.5 pKi = 6.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53246151 160466 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 604 7 0 6 6.0 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3981375 160466 0 None - 1 Human 7.5 pKi = 7.5 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 604 7 0 6 6.0 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
56591853 132591 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 507 6 0 6 5.3 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648200 132591 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 507 6 0 6 5.3 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
57414625 137213 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 548 5 0 6 6.0 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1 nan
CHEMBL3680194 137213 0 None - 1 Human 7.5 pKi = 7.5 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 548 5 0 6 6.0 Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1 nan
54584865 67384 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760207 67384 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 409 4 1 3 4.6 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 10.1016/j.bmcl.2011.02.033
53326275 65067 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1ccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
CHEMBL1682651 65067 0 None - 1 Human 6.5 pKi = 6.5 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1ccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 10.1016/j.bmcl.2010.12.135
3628880 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL10231 11304 1 None - 1 Human 5.5 pKi = 5.5 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 428 6 1 2 6.6 O=C(NC(Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
667698 196227 12 None - 1 Human 6.5 pKi = 6.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 338 4 1 2 4.8 O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
CHEMBL51352 196227 12 None - 1 Human 6.5 pKi = 6.5 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 338 4 1 2 4.8 O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm960818o
71549498 155512 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
CHEMBL3940252 155512 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 413 4 0 6 4.4 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 nan
11526802 65065 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682649 65065 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 547 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2010.12.135
53247477 166816 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108131 166816 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
54580930 67390 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760214 67390 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 363 4 1 5 2.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
53324974 65066 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682650 65066 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 10.1016/j.bmcl.2010.12.135
10837046 86247 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 444 5 1 2 6.5 CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113684 86247 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 444 5 1 2 6.5 CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
2132 10516 58 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
5311424 10516 58 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
CHEMBL10188 10516 58 None 1 6 Human 7.4 pKi = 7.4 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm2017072
51351504 67383 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 67383 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
54579946 67379 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
CHEMBL1760202 67379 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 1 4 4.1 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 10.1016/j.bmcl.2011.02.033
51351504 67383 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760206 67383 1 None 4 4 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 10.1016/j.bmcl.2011.02.033
52943089 24932 0 None -263 2 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 630 4 0 3 5.4 CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 10.1016/j.bmcl.2010.08.138
CHEMBL1269639 24932 0 None -263 2 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 630 4 0 3 5.4 CC(=O)N1CCN(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 10.1016/j.bmcl.2010.08.138
51351496 67382 7 None -6 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 67382 7 None -6 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
10160182 201531 0 None - 1 Human 6.4 pKi = 6.4 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 5 1 5 5.3 COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53719 201531 0 None - 1 Human 6.4 pKi = 6.4 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 436 5 1 5 5.3 COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549639 157059 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
CHEMBL3952660 157059 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 401 3 0 6 4.0 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 nan
86275684 160278 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
CHEMBL3979723 160278 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2)C3C)n1 nan
10194796 198634 0 None -6309 2 Human 5.4 pKi = 5.4 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 431 5 1 2 5.6 C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
CHEMBL519914 198634 0 None -6309 2 Human 5.4 pKi = 5.4 Binding
Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cellsDisplacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
ChEMBL 431 5 1 2 5.6 C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2008.05.082
10714925 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL274869 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
58046459 132606 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 466 5 0 5 5.0 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648215 132606 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 466 5 0 5 5.0 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
9961315 124702 0 None -275 3 Human 7.4 pKi = 7.4 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 10.1021/jm020094i
CHEMBL340326 124702 0 None -275 3 Human 7.4 pKi = 7.4 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 661 10 0 5 7.9 COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c([S@+](C)[O-])c1 10.1021/jm020094i
57414762 131222 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.0 CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
CHEMBL3639790 131222 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 543 5 0 4 5.0 CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
90644624 119538 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288163 119538 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305323 119538 0 None 6 2 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 669 10 3 6 5.3 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10619783 11454 1 None 5 2 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10334 11454 1 None 5 2 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10714925 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL274869 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
10714925 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL274869 105087 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 382 6 2 3 4.8 O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
71225056 125631 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
CHEMBL3422004 125631 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 391 2 0 5 3.2 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(C(F)(F)F)n2)C1 10.1021/jm5017413
24851680 111385 0 None - 1 Human 5.4 pKi = 5.4 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104783 111385 0 None - 1 Human 5.4 pKi = 5.4 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 617 7 0 4 7.5 CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 10.1016/j.bmcl.2013.12.033
90644608 119484 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288155 119484 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304468 119484 0 None -79 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
44301859 206591 0 None -35481 2 Guinea pig 4.4 pKi = 4.4 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 400 6 2 3 3.5 [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 10.1016/S0960-894X(01)80541-2
CHEMBL59413 206591 0 None -35481 2 Guinea pig 4.4 pKi = 4.4 Binding
Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranesTested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
ChEMBL 400 6 2 3 3.5 [O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 10.1016/S0960-894X(01)80541-2
71549361 167159 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4111118 167159 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 433 4 0 7 5.0 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
53246272 149267 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 559 6 0 6 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3890471 149267 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 559 6 0 6 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53247236 150181 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3897973 150181 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 627 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53247235 153730 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 595 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3926047 153730 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 595 6 0 4 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246989 158820 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 0 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3967237 158820 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 0 6 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53247364 158853 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 4 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3967469 158853 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 4 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246386 159709 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 5 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3974945 159709 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 591 5 0 5 6.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
2131 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604009 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL10284 10272 69 None 34 2 Human 8.4 pKi = 8.4 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
11685645 65082 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 0 3 6.4 CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682666 65082 0 None - 1 Human 8.4 pKi = 8.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 0 3 6.4 CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
56592113 132592 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 nan
CHEMBL3648201 132592 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 522 6 0 6 6.1 Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 nan
56591855 132609 1 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648218 132609 1 None - 1 Human 8.4 pKi = 8.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 549 6 0 6 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
58312644 156348 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3946816 156348 0 None - 1 Human 8.4 pKi = 8.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 6 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
57414488 137207 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.8 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3680188 137207 0 None - 1 Human 8.4 pKi = 8.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.8 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 nan
10718673 185886 0 None 1 2 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 457 6 1 4 5.4 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
CHEMBL47179 185886 0 None 1 2 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 457 6 1 4 5.4 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 10.1021/jm000501v
53324972 65053 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682637 65053 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
10764865 86242 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 425 8 2 4 5.1 CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113679 86242 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 425 8 2 4 5.1 CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10600223 186247 0 None 4 3 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 464 7 2 4 5.2 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47408 186247 0 None 4 3 Human 8.3 pKi = 8.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 464 7 2 4 5.2 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53246036 151490 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 1 6 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3908670 151490 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 594 7 1 6 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
67238115 155756 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 8 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(COC)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3942210 155756 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 8 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(COC)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312622 158117 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3961077 158117 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 613 6 0 5 5.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOC(C)(C)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2110 9743 38 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
219077 9743 38 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
3480 9743 38 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
CHEMBL346178 9743 38 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
DB04872 9743 38 None -3 6 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 H316W mutant expressed in HEK293 cells
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm2017072
58312668 155195 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3937693 155195 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 584 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
86274961 167057 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
CHEMBL4110286 167057 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 nan
53324975 65072 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682656 65072 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 527 8 1 3 5.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 10.1016/j.bmcl.2010.12.135
54580975 67435 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760331 67435 0 None - 1 Human 6.4 pKi = 6.4 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 430 4 1 4 4.4 COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
54583959 67443 0 None -8 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 67443 0 None -8 4 Rat 5.4 pKi = 5.4 Binding
Binding affinity to rat NK3 receptorBinding affinity to rat NK3 receptor
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10216430 86680 0 None -204173 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 417 5 1 2 5.9 C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2006.04.031
CHEMBL212428 86680 0 None -204173 2 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 417 5 1 2 5.9 C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2006.04.031
86275687 150419 0 None 776 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
CHEMBL3899877 150419 0 None 776 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1 nan
71549502 152668 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
CHEMBL3917687 152668 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 419 4 0 7 4.4 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 nan
86274962 160007 7 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3977343 160007 7 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
58312624 154645 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3933229 154645 0 None - 1 Human 7.4 pKi = 7.4 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10548730 103936 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL268046 103936 0 None - 1 Human 6.4 pKi = 6.4 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86275686 153944 0 None 851 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
CHEMBL3927872 153944 0 None 851 2 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2)C3C)n1 nan
57414761 137219 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680200 137219 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
71549500 166867 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
CHEMBL4108578 166867 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 405 3 0 7 4.2 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 nan
86274963 167234 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
CHEMBL4111714 167234 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 358 2 0 7 2.5 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 nan
86272105 167476 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4113569 167476 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 410 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(CC(F)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
56591759 132593 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 465 5 0 4 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648202 132593 0 None - 1 Human 7.4 pKi = 7.4 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 465 5 0 4 5.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
10813099 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL275259 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53482945 125617 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 125617 0 None - 1 Human 5.4 pKi = 5.4 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
10179473 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
CHEMBL275316 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm980633c
9828448 108019 0 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 7 1 4 5.2 CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
CHEMBL296122 108019 0 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 458 7 1 4 5.2 CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 10.1021/jm000501v
135413536 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
230 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
3490 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
6918365 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
CHEMBL1471 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
DB00673 7236 85 None -50 2 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
ChEMBL 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C 10.1021/jm2017072
53247232 155467 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 603 6 0 4 6.4 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL3939920 155467 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 603 6 0 4 6.4 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 nan
53246029 158922 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3968022 158922 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53318371 65076 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 549 8 1 3 5.1 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682660 65076 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 549 8 1 3 5.1 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 10.1016/j.bmcl.2010.12.135
53246030 155301 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3938471 155301 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 590 6 0 7 5.3 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
9970049 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL276386 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56591758 132587 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 526 5 0 5 3.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648197 132587 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 526 5 0 5 3.6 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
86272103 167374 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112806 167374 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 3 0 7 3.1 C[C@@H]1c2nnc(-c3nc(C(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
53246154 160891 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1cnc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)cn1 nan
CHEMBL3985128 160891 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1cnc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)cn1 nan
10225028 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10333 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10621487 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9955 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86274964 167126 0 None 758 2 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
CHEMBL4110770 167126 0 None 758 2 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 2 0 7 3.0 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2)[C@@H]3C)n1 nan
10249483 169003 0 None - 1 Human 7.3 pKi = 7.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL416309 169003 0 None - 1 Human 7.3 pKi = 7.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 385 5 2 4 3.9 COC(=O)C(NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
54583959 67443 0 None 3 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760339 67443 0 None 3 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 5 1 4 3.7 COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
135406470 200137 0 None - 1 Human 6.3 pKi = 6.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL52496 200137 0 None - 1 Human 6.3 pKi = 6.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549219 167297 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
CHEMBL4112270 167297 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 435 4 0 7 4.9 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 nan
44305818 21567 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL1206764 21567 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL305119 21567 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 698 13 3 8 4.3 CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
57414356 137203 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680184 137203 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
2132 10516 58 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
5311424 10516 58 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
CHEMBL10188 10516 58 None -1 6 Guinea pig 8.3 pKi = 8.3 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm900948q
53247480 155895 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 665 6 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3943234 155895 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 665 6 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3cnc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
53246992 156671 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 7 0 7 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3949250 156671 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 7 0 7 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246865 159441 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3972535 159441 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246619 159867 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3976147 159867 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 586 6 0 5 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
44570859 197127 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL517689 197127 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 10.1016/j.bmcl.2008.12.005
44570899 197130 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL517691 197130 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1 10.1016/j.bmcl.2008.12.005
52942335 25539 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
CHEMBL1277971 25539 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 393 5 2 3 5.4 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1 10.1021/jm1010012
52948404 25555 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1F)C1CC1 10.1021/jm1010012
CHEMBL1278059 25555 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 411 5 2 3 5.5 Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1F)C1CC1 10.1021/jm1010012
44241723 90307 0 None -12 2 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
CHEMBL2203704 90307 0 None -12 2 Human 8.3 pKi = 8.3 Binding
Displacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cellsDisplacement of radioligand [3H]osanetant at human NK3 Y247W mutant expressed in HEK293 cells
ChEMBL 674 6 0 5 6.6 Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1021/jm2017072
57414996 137225 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680206 137225 0 None - 1 Human 8.3 pKi = 8.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 575 5 0 6 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53317081 65043 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682628 65043 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
44266551 105104 0 None 58 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 10.1021/jm980633c
CHEMBL275017 105104 0 None 58 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 10.1021/jm980633c
11353915 13725 0 None -2 2 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 601 9 1 4 7.6 CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1084525 13725 0 None -2 2 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 601 9 1 4 7.6 CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
9940831 21418 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL1205204 21418 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
CHEMBL65468 21418 0 None -1 4 Rat 8.3 pKi = 8.3 Binding
Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
ChEMBL 810 13 4 9 5.7 O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12 10.1016/S0960-894X(96)00604-X
10619783 11454 1 None 5 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10334 11454 1 None 5 2 Human 8.3 pKi = 8.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.1 CC[C@@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321008 65086 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 578 8 2 3 5.8 CNC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682670 65086 0 None - 1 Human 8.3 pKi = 8.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 578 8 2 3 5.8 CNC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58312673 158753 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3966669 158753 0 None - 1 Human 8.3 pKi = 8.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 571 6 0 5 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10623566 86241 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 453 9 1 4 5.7 CC[C@H](NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113678 86241 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 453 9 1 4 5.7 CC[C@H](NC(=O)c1c(OCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10222384 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9645 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
53321001 65050 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682634 65050 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53319720 65097 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 582 8 0 4 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682681 65097 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 582 8 0 4 4.0 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N2CCCC2)CC1 10.1016/j.bmcl.2010.12.135
56591947 132603 0 None - 1 Human 8.2 pKi = 8.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 566 7 0 6 5.9 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
CHEMBL3648212 132603 0 None - 1 Human 8.2 pKi = 8.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 566 7 0 6 5.9 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nc1 nan
11273015 65039 0 None 14 3 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682624 65039 0 None 14 3 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53323700 65059 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682643 65059 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 10.1016/j.bmcl.2010.12.135
53321000 65049 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682633 65049 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 631 8 1 3 7.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
53246031 167423 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4113215 167423 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 6 5.9 CC(C)N(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10114860 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL274163 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10813099 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL275259 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
9970049 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL276386 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
86275207 129772 0 None 10 2 Human 7.3 pKi = 7.3 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 129772 0 None 10 2 Human 7.3 pKi = 7.3 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
10114860 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL274163 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
10813099 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL275259 105143 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 442 6 1 2 7.5 CCC(NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
9970049 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL276386 105313 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 6 1 2 6.2 CCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2110 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
90644620 119568 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288161 119568 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305870 119568 0 None -2 2 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10548730 103936 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL268046 103936 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10179473 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
CHEMBL275316 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1016/j.bmcl.2011.10.014
10621487 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9955 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10548730 103936 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL268046 103936 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 395 5 2 3 4.1 CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
10179473 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
CHEMBL275316 105158 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 406 4 1 2 5.9 O=C(NC(c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 10.1021/jm1010012
10621487 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9955 215157 1 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 409 5 1 3 4.5 CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53482149 125622 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421994 125622 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 387 3 0 6 3.7 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
67453320 125628 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
CHEMBL3422000 125628 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 10.1021/jm5017413
25195470 111387 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2013.12.033
CHEMBL3104785 111387 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 565 11 2 4 5.4 CCCN(C(C)=O)C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2013.12.033
10225028 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10333 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10225028 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL10333 11453 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 436 10 1 2 7.7 CCCCCCCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
53482945 125617 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421983 125617 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735342 125618 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421985 125618 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 323 2 0 5 2.1 O=C(c1cccc(F)c1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
118735345 125621 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
CHEMBL3421991 125621 0 None - 1 Human 5.3 pKi = 5.3 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 415 3 0 5 4.3 O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 10.1021/jm5017413
71549772 167331 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
CHEMBL4112541 167331 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 nan
86274965 167337 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
CHEMBL4112585 167337 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]3C)n1 nan
57414882 137222 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.3 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
CHEMBL3680203 137222 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 515 4 0 4 4.3 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 nan
20864936 67386 7 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760210 67386 7 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 376 4 1 4 3.4 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
10645347 108778 0 None - 1 Human 5.3 pKi = 5.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 6 2 4 4.5 COc1ccc2c(C(=O)NC(C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL301603 108778 0 None - 1 Human 5.3 pKi = 5.3 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 6 2 4 4.5 COc1ccc2c(C(=O)NC(C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
53246153 159052 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nn1 nan
CHEMBL3969252 159052 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 588 6 0 7 5.0 N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C4CC4)[C@H](c4ccc(Cl)cc4)C3)CC2)nn1 nan
20906556 67441 6 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760337 67441 6 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 380 4 1 4 3.2 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
86274966 167050 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
CHEMBL4110224 167050 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2F)[C@@H]3C)n1 nan
51351496 67382 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 67382 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
51351496 67382 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760205 67382 7 None 4 4 Human 6.3 pKi = 6.3 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 410 4 0 5 3.7 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1 10.1016/j.bmcl.2011.02.033
53247359 166838 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108328 166838 0 None - 1 Human 7.3 pKi = 7.3 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 592 7 0 6 5.8 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10114860 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL274163 104973 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 450 10 1 2 7.9 CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
71549358 151435 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
CHEMBL3908229 151435 0 None - 1 Human 7.3 pKi = 7.3 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 461 3 0 7 4.8 O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(C(F)(F)F)n2)C1 nan
86275206 167517 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
CHEMBL4113908 167517 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1ccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)cc1 nan
2110 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
219077 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
3480 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
CHEMBL346178 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
DB04872 9743 38 None -154 6 Rat 7.3 pKi = 7.3 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1021/jm5017413
53321002 65073 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
CHEMBL1682657 65073 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 543 9 1 4 4.9 COc1cccc([C@]2(C(=O)N(C)Cc3ccc(F)cc3)C[C@H]2CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1 10.1016/j.bmcl.2010.12.135
58046463 132594 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 471 6 0 5 5.1 COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1 nan
CHEMBL3648203 132594 0 None - 1 Human 7.3 pKi = 7.3 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 471 6 0 5 5.1 COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cn1 nan
2110 9743 38 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
219077 9743 38 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
3480 9743 38 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL346178 9743 38 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
DB04872 9743 38 None -154 6 Rat 7.2 pKi = 7.2 Binding
Binding affinity to rat NK3 receptor by radioligand binding assayBinding affinity to rat NK3 receptor by radioligand binding assay
ChEMBL 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 10.1016/j.bmcl.2011.02.033
10788556 108243 1 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1021/jm960818o
CHEMBL297736 108243 1 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 10.1021/jm960818o
53246152 157055 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 6 0 5 6.8 O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1C[C@@H](N(C(=O)Oc2ccc(F)cc2)C2CC2)[C@H](c2ccc(Cl)cc2)C1 nan
CHEMBL3952617 157055 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 630 6 0 5 6.8 O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1C[C@@H](N(C(=O)Oc2ccc(F)cc2)C2CC2)[C@H](c2ccc(Cl)cc2)C1 nan
44315210 109695 0 None -288 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 14 0 8 8.0 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306124 109695 0 None -288 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 747 14 0 8 8.0 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
86275207 129772 0 None -10 2 Rat 6.2 pKi = 6.2 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
CHEMBL3608740 129772 0 None -10 2 Rat 6.2 pKi = 6.2 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 10.1021/acsmedchemlett.5b00117
86274960 151305 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
CHEMBL3907155 151305 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 4 1 8 1.8 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3CCO)n1 nan
86275682 160400 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
CHEMBL3980803 160400 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 376 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2)C3C)n1 nan
86272104 167385 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112928 167385 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 3 0 7 2.8 C[C@@H]1c2nnc(-c3nc(C(C)(F)F)no3)n2CCN1C(=O)c1ccc(F)cc1 nan
71549637 125644 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL3422016 125644 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
53246991 157496 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3956132 157496 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 578 6 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
58312651 161017 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 608 7 0 7 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(OC(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3986148 161017 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 608 7 0 7 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(OC(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
11498183 65083 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 617 8 0 3 7.0 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682667 65083 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 617 8 0 3 7.0 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
58312657 153934 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3927793 153934 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 609 6 0 4 5.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
10836803 86240 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 439 8 2 4 4.6 CC[C@H](NC(=O)c1c(OCC(N)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113677 86240 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 439 8 2 4 4.6 CC[C@H](NC(=O)c1c(OCC(N)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
44570979 190412 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 535 8 1 4 5.5 CN(Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
CHEMBL480248 190412 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 535 8 1 4 5.5 CN(Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1)S(C)(=O)=O 10.1016/j.bmcl.2008.12.005
44570934 198551 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
CHEMBL519790 198551 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 10.1016/j.bmcl.2008.12.005
10524687 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL10134 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1016/j.bmcl.2011.10.014
10222384 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL9645 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10524687 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
CHEMBL10134 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm1010012
52943546 25572 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
CHEMBL1278150 25572 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 429 5 2 3 5.6 Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)NC(c1cccc(F)c1)C1CC1 10.1021/jm1010012
10222384 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL9645 214631 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 396 6 1 3 5.8 CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
90417914 125643 0 None -2 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
CHEMBL3422015 125643 0 None -2 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 433 4 0 7 5.0 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 10.1021/jm5017413
71549769 125646 0 None -1 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422018 125646 0 None -1 5 Rhesus macaque 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
ChEMBL 422 3 0 8 4.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
71549637 125644 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3422016 125644 0 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 10.1021/jm5017413
58312681 156672 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 7 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(OC)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3949252 156672 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 585 7 0 5 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(OC)C3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312671 167377 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 623 6 0 4 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL4112847 167377 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 623 6 0 4 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
11798897 86244 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 479 9 1 4 6.3 CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113681 86244 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 479 9 1 4 6.3 CC[C@H](NC(=O)c1c(OCCN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
46889669 13783 0 None -2 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084771 13783 0 None -2 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
86275207 129772 0 None 10 2 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
CHEMBL3608740 129772 0 None 10 2 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 340 2 0 7 2.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 nan
56591945 132589 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 475 5 0 4 5.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648199 132589 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 475 5 0 4 5.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 nan
53245908 155847 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 606 7 0 6 6.2 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C(C)C)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3942941 155847 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 606 7 0 6 6.2 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C(=O)Oc4ccc(F)cc4)C(C)C)[C@H](c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247357 166706 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 nan
CHEMBL4107191 166706 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 589 6 0 4 6.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1 nan
10522097 195427 0 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 6 1 3 5.2 COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL50346 195427 0 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 354 6 1 3 5.2 COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
2314026 201501 1 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 362 5 1 4 3.8 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C 10.1021/jm960818o
CHEMBL53489 201501 1 None - 1 Human 5.2 pKi = 5.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 362 5 1 4 3.8 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(C)C 10.1021/jm960818o
10296362 201721 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL54205 201721 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
57414881 137221 0 None - 1 Human 6.2 pKi = 6.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680202 137221 0 None - 1 Human 6.2 pKi = 6.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.3 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
86275208 166985 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
CHEMBL4109584 166985 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 408 2 0 7 3.3 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H]3C)n1 nan
118735349 125627 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
CHEMBL3421999 125627 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 351 2 0 5 3.0 Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 10.1021/jm5017413
90644614 119486 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288158 119486 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3304470 119486 0 None 1 2 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.2 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
118735351 125630 0 None - 1 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
CHEMBL3422002 125630 0 None - 1 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.4 Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 10.1021/jm5017413
90644610 119526 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288156 119526 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305158 119526 0 None -15 2 Human 5.2 pKi = 5.2 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 12 2 6 5.7 CN1C(=O)OC2(CCN(CCC[C@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
10173872 146051 0 None -6309 2 Human 6.2 pKi = 6.2 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
CHEMBL379072 146051 0 None -6309 2 Human 6.2 pKi = 6.2 Binding
Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cellsDisplacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
ChEMBL 459 6 1 2 6.0 CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 10.1016/j.bmcl.2006.04.031
57414355 137202 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 482 4 0 5 4.7 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1 nan
CHEMBL3680183 137202 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 482 4 0 5 4.7 Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)cnn1 nan
53247476 166806 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108048 166806 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 628 7 0 7 5.0 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
135419384 108304 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL298185 108304 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 412 5 2 5 4.3 COC(=O)C(NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10179239 108772 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL301564 108772 0 None - 1 Human 7.2 pKi = 7.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 402 5 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
53246156 156020 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 572 6 1 5 3.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3944288 156020 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 572 6 1 5 3.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10622339 195397 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1 10.1021/jm960818o
CHEMBL50291 195397 0 None - 1 Human 6.2 pKi = 6.2 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1 10.1021/jm960818o
53324973 65060 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 10.1016/j.bmcl.2010.12.135
CHEMBL1682644 65060 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 623 10 1 5 6.1 COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)c(Cl)c3)CC2CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC 10.1016/j.bmcl.2010.12.135
53326274 65064 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682648 65064 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 531 8 1 3 5.0 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.12.135
57414218 137199 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680180 137199 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 491 4 0 4 5.5 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
44315209 211690 0 None -295 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 12 0 8 7.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL76093 211690 0 None -295 3 Human 6.2 pKi = 6.2 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 728 12 0 8 7.9 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
71549911 167036 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
CHEMBL4110064 167036 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 418 3 0 7 3.9 Cc1cc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n(C)n1 nan
86275209 167344 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4112608 167344 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 372 3 0 7 2.9 CC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
53246033 158119 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 647 11 0 7 5.6 CCN(CC)CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(CC)C(=O)Oc4ccc(F)cc4)[C@H](c4ccc(F)cc4)C3)CC2)nc1 nan
CHEMBL3961085 158119 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 647 11 0 7 5.6 CCN(CC)CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(CC)C(=O)Oc4ccc(F)cc4)[C@H](c4ccc(F)cc4)C3)CC2)nc1 nan
71549362 166932 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
CHEMBL4109138 166932 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 427 4 0 6 4.9 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 nan
71549635 167653 0 None 851 3 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
CHEMBL4115030 167653 0 None 851 3 Human 8.2 pKi = 8.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 450 4 0 8 4.4 C[C@@H]1c2nnc(-c3csc(N(C)C)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 nan
86275451 166872 0 None 4466 3 Human 8.2 pKi = 8.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
CHEMBL4108623 166872 0 None 4466 3 Human 8.2 pKi = 8.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 420 4 0 8 3.8 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 nan
10837820 186013 0 None 38 2 Human 8.2 pKi = 8.2 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 463 7 1 3 6.8 CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
CHEMBL47275 186013 0 None 38 2 Human 8.2 pKi = 8.2 Binding
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranesDisplacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
ChEMBL 463 7 1 3 6.8 CC[C@H](NC(=O)c1c(CN2CCCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm000501v
53246385 156173 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 7 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3945552 156173 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 7 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53246743 158364 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3963412 158364 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 570 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
10524687 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
CHEMBL10134 11162 0 None - 1 Human 8.2 pKi = 8.2 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 394 6 1 2 6.3 CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1 10.1021/jm980633c
58312620 152279 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 540 6 0 5 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3914687 152279 0 None - 1 Human 8.2 pKi = 8.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 540 6 0 5 4.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccc(Cl)cc1 nan
56592032 132588 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 530 5 0 4 4.9 CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 nan
CHEMBL3648198 132588 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 530 5 0 4 4.9 CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 nan
46889694 13348 0 None -4 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1083052 13348 0 None -4 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 599 6 1 4 7.3 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
53324976 65078 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 541 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682662 65078 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 541 8 1 3 5.5 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1 10.1016/j.bmcl.2010.12.135
53324988 65094 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 574 8 0 4 4.7 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682678 65094 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 574 8 0 4 4.7 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCC2)CC1 10.1016/j.bmcl.2010.12.135
2132 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
5311424 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
CHEMBL10188 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Binding affinity to human NK3 receptor by radioligand binding assayBinding affinity to human NK3 receptor by radioligand binding assay
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2011.02.033
53247608 158174 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 7 1 6 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3961600 158174 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 593 7 1 6 4.7 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53326891 64945 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1681797 64945 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 577 8 1 3 6.3 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414489 137208 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680189 137208 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 568 5 0 5 5.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
51003494 65096 0 None 9 3 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 556 8 0 4 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682680 65096 0 None 9 3 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 556 8 0 4 3.5 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1 10.1016/j.bmcl.2010.12.135
46889691 13699 0 None 1 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084434 13699 0 None 1 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 613 6 1 4 7.7 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
53317093 65089 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 599 9 1 4 5.5 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682673 65089 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 599 9 1 4 5.5 CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 10.1016/j.bmcl.2010.12.135
58312685 153541 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3924432 153541 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 4.8 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2131 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
6604009 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL10284 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1016/j.bmcl.2008.12.005
9843873 189872 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
CHEMBL479450 189872 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity to NK3 receptorBinding affinity to NK3 receptor
ChEMBL 399 5 2 3 5.5 CC[C@H](NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2008.12.005
86272102 129770 0 None 9 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 129770 0 None 9 2 Human 8.1 pKi = 8.1 Binding
Binding affinity to human recombinant NK3R by radioligand binding assayBinding affinity to human recombinant NK3R by radioligand binding assay
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
44215996 25529 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL1277890 25529 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 399 5 2 3 5.5 CCC(NC(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
2132 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
5311424 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
CHEMBL10188 10516 58 None 1 6 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 10.1021/jm5017413
86302473 119525 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288169 119525 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305156 119525 0 None -3 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 697 11 2 6 5.5 CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
71549499 167507 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
CHEMBL4113811 167507 0 None - 1 Human 7.2 pKi = 7.2 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 399 3 0 6 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 nan
86275452 149390 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
CHEMBL3891477 149390 0 None - 1 Human 7.2 pKi = 7.2 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 412 2 0 7 2.9 Cc1nsc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)C3C)n1 nan
53317711 65062 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682646 65062 0 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 569 8 1 4 6.1 CC(=O)NC1(c2ccccc2)CCN(CC2CC2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
58312663 157848 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3958938 157848 0 None - 1 Human 7.2 pKi = 7.2 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 646 6 0 5 6.3 CCN(C(=O)Oc1ccccc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
54585832 67388 0 None - 1 Human 6.2 pKi = 6.2 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
CHEMBL1760212 67388 0 None - 1 Human 6.2 pKi = 6.2 Binding
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cellsDisplacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
ChEMBL 387 4 1 5 2.9 COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1 10.1016/j.bmcl.2011.02.033
76317390 111386 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104784 111386 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Binding affinity to NK3 receptor (unknown origin)Binding affinity to NK3 receptor (unknown origin)
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
86275685 152056 0 None 416 2 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
CHEMBL3913001 152056 0 None 416 2 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 392 2 0 7 3.1 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(Cl)c2)C3C)n1 nan
2109 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
9852253 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
CHEMBL129683 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cellsBinding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1016/s0960-894x(01)00572-8
2109 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
9852253 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
CHEMBL129683 10909 4 None -676 3 Human 7.1 pKi = 7.1 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 631 9 0 4 7.9 N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C 10.1021/jm020094i
10271147 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL418524 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
71533722 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
CHEMBL3422010 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/acsmedchemlett.5b00117
71533722 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
118735340 125616 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 125616 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
10786383 195409 0 None - 1 Human 7.1 pKi = 7.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 386 5 1 5 4.1 COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL50302 195409 0 None - 1 Human 7.1 pKi = 7.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 386 5 1 5 4.1 COC(=O)C(NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
68089183 137210 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 492 4 0 5 4.9 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680191 137210 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 492 4 0 5 4.9 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(C#N)nc2)C[C@@H]1c1ccc(Cl)cc1 nan
86275211 167051 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
CHEMBL4110242 167051 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 386 4 0 7 3.2 CCC[C@@H]1c2nnc(-c3nc(C)ns3)n2CCN1C(=O)c1ccc(F)cc1 nan
10764902 108552 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL299973 108552 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 426 6 1 5 4.6 COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1 10.1021/jm960818o
10271147 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
CHEMBL418524 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding affinity to human NK3 receptor expressed in CHO cellsBinding affinity to human NK3 receptor expressed in CHO cells
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1016/j.bmcl.2011.10.014
10271147 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
CHEMBL418524 170026 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma countingDisplacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
ChEMBL 380 5 1 2 6.0 CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm1010012
71533722 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
CHEMBL3422010 125638 0 None -5 5 Rat 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
ChEMBL 421 3 0 7 4.7 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 10.1021/jm5017413
118735340 125616 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
CHEMBL3421982 125616 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 402 4 0 6 2.6 N#CC(c1ccccn1)c1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 10.1021/jm5017413
71549359 125640 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
CHEMBL3422012 125640 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 10.1021/jm5017413
118735354 125641 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
CHEMBL3422013 125641 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 475 3 0 7 5.4 C[C@@H]1c2nnc(-c3csc(C(F)(F)F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 10.1021/jm5017413
76317390 111386 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
CHEMBL3104784 111386 0 None -5 2 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptorDisplacement of [3H]-SR142801 from human NK3 receptor
ChEMBL 633 6 1 4 7.4 Cc1cc(F)ccc1-c1cc(N2CC(F)(F)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2013.12.033
67453148 125626 0 None - 1 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421998 125626 0 None - 1 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
90644626 119530 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3288164 119530 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
CHEMBL3305163 119530 0 None -2 2 Human 6.1 pKi = 6.1 Binding
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cellsDisplacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
ChEMBL 683 11 3 6 5.7 CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 10.1021/ml400528y
11239751 91946 0 None -79432 3 Human 5.1 pKi = 5.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 785 10 7 8 -0.5 NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 10.1021/jm040832y
CHEMBL225297 91946 0 None -79432 3 Human 5.1 pKi = 5.1 Binding
Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cellsDisplacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
ChEMBL 785 10 7 8 -0.5 NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 10.1021/jm040832y
67455077 125625 0 None - 1 Human 5.1 pKi = 5.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
CHEMBL3421997 125625 0 None - 1 Human 5.1 pKi = 5.1 Binding
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisDisplacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
ChEMBL 337 2 0 5 2.7 C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/jm5017413
9887650 23423 0 None -63095 5 Guinea pig 4.1 pKi = 4.1 Binding
The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortexThe compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex
ChEMBL 407 5 1 3 4.3 O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 10.1021/jm00019a006
CHEMBL124208 23423 0 None -63095 5 Guinea pig 4.1 pKi = 4.1 Binding
The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortexThe compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex
ChEMBL 407 5 1 3 4.3 O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 10.1021/jm00019a006
44550460 203816 0 None -1 4 Guinea pig 8.1 pKi = 8.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
CHEMBL567198 203816 0 None -1 4 Guinea pig 8.1 pKi = 8.1 Binding
Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
ChEMBL 537 8 0 3 5.9 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm900948q
53247479 153185 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3921770 153185 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53247603 154002 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3928364 154002 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 575 6 0 6 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
53246274 159179 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 612 7 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
CHEMBL3970478 159179 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 612 7 0 7 4.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)C[C@H]1c1ccc(F)cc1 nan
53247481 159470 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 621 6 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
CHEMBL3972805 159470 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 621 6 0 6 5.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 nan
57414998 137226 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.6 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
CHEMBL3680207 137226 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 592 6 0 6 5.6 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 nan
53247483 158733 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 515 5 0 4 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3966518 158733 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 515 5 0 4 4.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)cc1 nan
58312656 160531 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 596 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
CHEMBL3981870 160531 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 596 6 0 5 5.4 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 nan
2131 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
6604009 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
CHEMBL10284 10272 69 None 34 2 Human 8.1 pKi = 8.1 Binding
Displacement of radiolabeled SB 222200 from human NK3 receptorDisplacement of radiolabeled SB 222200 from human NK3 receptor
ChEMBL 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10.1021/jm8007618
46889690 13723 0 None -9 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
CHEMBL1084522 13723 0 None -9 2 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 585 5 1 4 7.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC[C@H](O)C2)cc1-c1ccccc1Cl 10.1016/j.bmcl.2010.04.008
10695575 86239 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 10 1 4 6.1 CC[C@H](NC(=O)c1c(OCCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL2113676 86239 0 None - 1 Human 8.1 pKi = 8.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 467 10 1 4 6.1 CC[C@H](NC(=O)c1c(OCCCN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
56592029 132598 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 517 6 0 4 5.3 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
CHEMBL3648207 132598 0 None - 1 Human 8.1 pKi = 8.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 517 6 0 4 5.3 CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 nan
53318390 65098 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 588 8 0 4 5.1 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682682 65098 0 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 588 8 0 4 5.1 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCCCC2)CC1 10.1016/j.bmcl.2010.12.135
10786254 199976 0 None - 1 Human 5.1 pKi = 5.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 384 5 1 4 5.7 COc1ccc2c(NC(=O)OCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL52335 199976 0 None - 1 Human 5.1 pKi = 5.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 384 5 1 4 5.7 COc1ccc2c(NC(=O)OCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
10717542 201490 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53433 201490 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 430 5 1 4 5.2 COC(=O)C(NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
71549359 125640 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
CHEMBL3422012 125640 0 None - 1 Human 7.1 pKi = 7.1 Binding
Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Binding Competition Assay: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 407 3 0 7 4.1 Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 nan
129625879 151362 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3907662 151362 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 374 3 0 7 2.7 CC(F)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
86272101 155770 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
CHEMBL3942295 155770 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 356 3 0 7 2.2 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1 nan
11657014 65040 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682625 65040 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 563 8 1 3 6.0 CC(=O)NC1(c2ccccc2)CCN(C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
1760287 11068 2 None 2 2 Human 6.1 pKi = 6.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL10079 11068 2 None 2 2 Human 6.1 pKi = 6.1 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 366 5 1 2 5.8 CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
86272102 129770 0 None -9 2 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
CHEMBL3608688 129770 0 None -9 2 Rat 7.1 pKi = 7.1 Binding
Binding affinity to rat NK3RBinding affinity to rat NK3R
ChEMBL 412 2 0 7 3.2 C[C@@H]1c2nnc(-c3nc(C(F)(F)F)ns3)n2CCN1C(=O)c1ccc(F)cc1 10.1021/acsmedchemlett.5b00117
86275212 167672 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
CHEMBL4115179 167672 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 388 3 0 8 2.5 COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F nan
57414354 137201 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3680182 137201 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 474 4 0 4 4.7 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
56591946 132595 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 448 5 0 4 4.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648204 132595 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 448 5 0 4 4.8 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 nan
10270385 195953 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 368 5 1 3 4.8 COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL51120 195953 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 368 5 1 3 4.8 COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
86275447 167254 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
CHEMBL4111859 167254 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 354 2 0 7 2.6 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2C)[C@@H]3C)n1 nan
53245782 166808 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4108064 166808 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 618 6 0 5 6.6 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
10810808 201477 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL53356 201477 0 None - 1 Human 6.1 pKi = 6.1 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 397 5 1 5 3.9 COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
86275683 152857 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
CHEMBL3919172 152857 0 None - 1 Human 7.1 pKi = 7.1 Binding
Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).Competitive Binding Assay: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard).
ChEMBL 394 2 0 7 2.7 Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)C3C)n1 nan
53247358 167148 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL4110994 167148 0 None - 1 Human 7.1 pKi = 7.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 576 6 0 7 4.9 CCN(C(=O)Oc1ccc(F)cc1)[C@H]1CN(C(=O)C2CCN(c3ncc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 nan
53246863 150112 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3897339 150112 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 566 6 0 5 5.5 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
53246620 152241 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
CHEMBL3914369 152241 0 None - 1 Human 8.1 pKi = 8.1 Binding
[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.[3H]SR142801 Competition Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000×g for 10 mM at 4° C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 μM phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 μg protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 μM) (in a total reaction volume of 500 μl) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 μM SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 μl of microscint 40 (Canberra Packard S.A., Zürich, Switzerland) and shaking for 1 h.
ChEMBL 620 6 0 5 6.3 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 nan
9852904 123815 0 None -34 3 Human 8.0 pKi = 8.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 677 10 1 6 5.9 CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm020094i
CHEMBL339051 123815 0 None -34 3 Human 8.0 pKi = 8.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 677 10 1 6 5.9 CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1 10.1021/jm020094i
57414997 137227 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.0 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680208 137227 0 None - 1 Human 8.0 pKi = 8 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 584 5 0 5 6.0 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
53326885 65077 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682661 65077 0 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 581 8 1 3 6.2 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 10.1016/j.bmcl.2010.12.135
57414880 137220 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680201 137220 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 555 5 0 4 6.1 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 nan
10177949 195674 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 382 6 1 3 4.9 COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
CHEMBL50742 195674 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 382 6 1 3 4.9 COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1 10.1021/jm960818o
44351946 124147 1 None -9999 3 Human 5.0 pKi = 5.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 568 8 0 3 7.3 CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
CHEMBL339767 124147 1 None -9999 3 Human 5.0 pKi = 5.0 Binding
Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cellsInhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
ChEMBL 568 8 0 3 7.3 CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm020094i
10135793 196143 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 403 5 1 6 4.0 COC(=O)C(NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL51274 196143 0 None - 1 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 403 5 1 6 4.0 COC(=O)C(NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
5764 10270 46 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604858 10270 46 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
CHEMBL9843 10270 46 None 58 2 Human 6.0 pKi = 6.0 Binding
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 10.1021/jm9602423
6604014 214627 7 None 28 2 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9643 214627 7 None 28 2 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
6604014 214627 7 None 28 2 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL9643 214627 7 None 28 2 Human 6.0 pKi = 6.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 396 5 1 4 4.5 COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm960818o
53326646 65080 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccs2)CC1 10.1016/j.bmcl.2010.12.135
CHEMBL1682664 65080 0 None - 1 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cellsDisplacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
ChEMBL 519 8 1 4 4.9 CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccs2)CC1 10.1016/j.bmcl.2010.12.135
56592201 132611 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 537 6 0 4 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
CHEMBL3648220 132611 0 None - 1 Human 7.0 pKi = 7.0 Binding
Competition Binding Assay: Competition binding assay using hNK3 receptor.Competition Binding Assay: Competition binding assay using hNK3 receptor.
ChEMBL 537 6 0 4 6.2 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 nan
46889466 14050 1 None -30 2 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 8 1 4 7.4 COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
CHEMBL1086004 14050 1 None -30 2 Human 7.0 pKi = 7.0 Binding
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cellsDisplacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
ChEMBL 573 8 1 4 7.4 COCCNc1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 10.1016/j.bmcl.2010.04.008
44315589 211617 0 None -489 3 Human 6.0 pKi = 6.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 804 16 1 9 7.2 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL75478 211617 0 None -489 3 Human 6.0 pKi = 6.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 804 16 1 9 7.2 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC(=O)NCCOC)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
10136512 195052 0 None - 1 Human 7.0 pKi = 7.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 414 5 1 4 4.7 COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1021/jm960818o
CHEMBL49999 195052 0 None - 1 Human 7.0 pKi = 7.0 Binding
Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
ChEMBL 414 5 1 4 4.7 COC(=O)C(NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 10.1021/jm960818o
44315572 109758 0 None -38 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 11 1 7 8.3 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
CHEMBL306624 109758 0 None -38 3 Human 7.0 pKi = 7.0 Binding
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligandBinding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
ChEMBL 689 11 1 7 8.3 CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 10.1016/s0960-894x(02)00462-6
9874473 48582 0 None -54 3 Human 7.0 pKi = 7.0 Binding
In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligandIn vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligand
ChEMBL 659 10 0 4 8.4 CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm030197g
CHEMBL149326 48582 0 None -54 3 Human 7.0 pKi = 7.0 Binding
In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligandIn vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligand
ChEMBL 659 10 0 4 8.4 CCc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 10.1021/jm030197g
10835383 215067 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL9898 215067 0 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 410 6 1 4 4.9 COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
10596000 104956 5 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
CHEMBL273975 104956 5 None - 1 Human 6.0 pKi = 6.0 Binding
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKBBinding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
ChEMBL 381 5 2 3 3.9 NC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 10.1021/jm980633c
57415121 137230 0 None - 1 Human 6.0 pKi = 6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
CHEMBL3680211 137230 0 None - 1 Human 6.0 pKi = 6 Binding
Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.Competitive Binding Assay: hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor.
ChEMBL 563 5 0 4 5.9 CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1 nan
108147 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
108147 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2127 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
2127 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
CHEMBL106124 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1312036
CHEMBL106124 10355 36 None 2 3 Rat 8.5 pKd = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 2426259
2110 9743 38 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
219077 9743 38 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
3480 9743 38 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
CHEMBL346178 9743 38 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
DB04872 9743 38 None -3 6 Human 9.9 pKd = 9.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB 1 8 Guinea pig 10.0 pKi = 10.0 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 9.7 pKi = 9.7 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 9.4 pKi = 9.4 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222851 0 125I-[MePhe7]-NKB 4 4 Human 9.1 pKi = 9.1 Binding
NoneNone
PDSP KiDatabase 1210 38 14 16 -1.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N None
133090 105199 20 125I-[MePhe7]-NKB 9 3 Human 9.0 pKi = 9 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
CHEMBL275544 105199 20 125I-[MePhe7]-NKB 9 3 Human 9.0 pKi = 9 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
None 222854 0 125I-[MePhe7]-NKB -1 8 Human 8.9 pKi = 8.9 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222854 0 Neurokinin -1 8 Human 8.8 pKi = 8.8 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
202 8290 77 UNDEFINED -9 33 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
60835 8290 77 UNDEFINED -9 33 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
972 8290 77 UNDEFINED -9 33 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
CHEMBL1175 8290 77 UNDEFINED -9 33 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
DB00476 8290 77 UNDEFINED -9 33 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 297 6 1 3 4.6 CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 None
5656 209845 87 UNDEFINED -7 43 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 277 5 1 3 3.0 COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 None
CHEMBL637 209845 87 UNDEFINED -7 43 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 277 5 1 3 3.0 COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 None
54841 209906 52 UNDEFINED -1 30 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 255 6 1 2 3.7 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 None
CHEMBL641 209906 52 UNDEFINED -1 30 Rat 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 255 6 1 2 3.7 CNCC[C@@H](Oc1ccccc1C)c1ccccc1 None
3075702 224111 0 3H-SENKTIDE -2 37 Human 6.0 pKi = 6 Binding
NoneNone
PDSP KiDatabase 198 3 1 3 1.5 C1CNC1COC2=CN=C(C=C2)Cl None
119376 8622 48 3H-SENKTIDE -54954 27 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
247 8622 48 3H-SENKTIDE -54954 27 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
CHEMBL33884 8622 48 3H-SENKTIDE -54954 27 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 393 7 1 6 1.6 O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C None
3294 8787 111 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
71360 8787 111 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
87 8787 111 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
CHEMBL14376 8787 111 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
DB04946 8787 111 125I-NKB -14454 44 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 426 8 0 6 4.8 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C None
243 9976 91 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
3052762 9976 91 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
3502 9976 91 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
CHEMBL117287 9976 91 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
DB06480 9976 91 3H-SR 142801 -1096 34 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 367 6 2 5 2.1 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N None
21830793 98610 10 3H-8-OH-DPAT -66069 46 Bovine 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 373 7 0 8 0.6 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 None
CHEMBL2413154 98610 10 3H-8-OH-DPAT -66069 46 Bovine 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 373 7 0 8 0.6 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 None
133090 105199 20 3H-SUBSTANCE P 9 3 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
CHEMBL275544 105199 20 3H-SUBSTANCE P 9 3 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 382 5 2 3 5.5 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 None
44208932 147485 7 UNDEFINED -89125 37 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 475 5 1 3 6.8 Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 None
CHEMBL381689 147485 7 UNDEFINED -89125 37 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 475 5 1 3 6.8 Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 None
1973 210262 15 3H-SENKTIDE -3 36 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
CHEMBL1394464 210262 15 3H-SENKTIDE -3 36 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
CHEMBL66089 210262 15 3H-SENKTIDE -3 36 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 462 3 1 7 3.9 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 None
None 222907 0 3H-Eledoisin -1 13 Human 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 164 3 1 3 0.8 C1CNC1COC2=CN=CC=C2 None
None 223272 0 125I-Eledoisin -10471285 17 Rat 5.0 pKi = 5 Binding
NoneNone
PDSP KiDatabase 372 2 1 3 4.4 CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl None
None 223148 0 125I-Iodohistidyl [MePhe7]NKB - 1 Human 6.0 pKi = 6.0 Binding
NoneNone
PDSP KiDatabase 654 9 0 2 5.2 CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-] None
9850582 204021 22 Neurokinin -977 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 204021 22 Neurokinin -977 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
2098 10466 36 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
36511 10466 36 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
3805 10466 36 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
3835 10466 36 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
CHEMBL235363 10466 36 125I-[MePhe7]-NKB -5248 6 Human 5.9 pKi = 5.9 Binding
NoneNone
PDSP KiDatabase None None None None None
None 222854 0 125I-BH Eledoisin -46 8 Rat 7.8 pKi = 7.8 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
5079497 222853 0 125I-Iodohistidyl [MePhe7]NKB 1445 3 Human 7.8 pKi = 7.8 Binding
NoneNone
PDSP KiDatabase 841 26 8 10 -0.0 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O None
5079497 222853 0 125I-[MePhe7]-NKB 1445 3 Human 8.6 pKi = 8.6 Binding
NoneNone
PDSP KiDatabase 841 26 8 10 -0.0 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O None
9850582 204021 22 125I-Bolton Hunter -295 6 Guinea pig 6.7 pKi = 6.7 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 204021 22 125I-Bolton Hunter -295 6 Guinea pig 6.7 pKi = 6.7 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB 1 8 Guinea pig 7.6 pKi = 7.6 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222851 0 125I-Bolton Hunter -4 4 Guinea pig 8.5 pKi = 8.5 Binding
NoneNone
PDSP KiDatabase 1210 38 14 16 -1.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 7.5 pKi = 7.5 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222854 0 125I-Iodohistidyl [MePhe7]NKB -1 8 Human 7.5 pKi = 7.5 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222967 0 125I-Bolton Hunter -36 6 Guinea pig 5.5 pKi = 5.5 Binding
NoneNone
PDSP KiDatabase 1041 17 10 13 0.9 CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C None
9850582 204021 22 125I-Iodohistidyl [MePhe7]NKB -977 6 Human 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 204021 22 125I-Iodohistidyl [MePhe7]NKB -977 6 Human 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
None 222854 0 125I-BH Eledoisin -46 8 Rat 6.4 pKi = 6.4 Binding
NoneNone
PDSP KiDatabase 605 8 0 3 7.4 CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5 None
None 222852 0 125I-[MePhe7]-NKB -707 6 Human 6.3 pKi = 6.3 Binding
NoneNone
PDSP KiDatabase 1133 37 16 17 -4.6 CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N None
None 222966 0 125I-Bolton Hunter -3801 5 Guinea pig 5.3 pKi = 5.3 Binding
NoneNone
PDSP KiDatabase 588 8 2 5 4.3 CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O None
135413536 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
230 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
3490 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
6918365 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
CHEMBL1471 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
DB00673 7236 85 None -50 2 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsDisplacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
Drug Central 534 6 2 5 5.0 Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C None
9850582 204021 22 125I-[MePhe7]-NKB -977 6 Human 6.2 pKi = 6.2 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
CHEMBL56835 204021 22 125I-[MePhe7]-NKB -977 6 Human 6.2 pKi = 6.2 Binding
NoneNone
PDSP KiDatabase 551 9 1 3 6.4 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 None
10422 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
117604931 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
CHEMBL3608680 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
DB15669 8415 34 None 8 2 Human 7.6 pKi = 7.6 Binding
Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.Binding to recombinant human NK<sub>3</sub>R expressed in CHO cells.
Guide to Pharmacology 358 2 0 7 2.5 Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C 26191358
2098 10466 36 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
36511 10466 36 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3805 10466 36 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3835 10466 36 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL235363 10466 36 None -13182 6 Mouse 5.3 pKi = 5.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
190945 9802 0 None - 1 Human 7.4 pKi = 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
5766 9802 0 None - 1 Human 7.4 pKi = 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 553 16 4 6 4.7 OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C 7476898
2131 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
2131 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
6604009 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
6604009 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10284 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 10992004
CHEMBL10284 10272 69 None 34 2 Human 7.5 pKi = 7.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 380 5 1 2 6.1 CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 11226387
108147 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
108147 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
108147 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2127 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2127 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
2127 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL106124 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL106124 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 8702757
CHEMBL106124 10355 36 None -2 3 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5764 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
6604858 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
CHEMBL9843 10270 46 None 58 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 396 5 1 4 4.5 COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 8691422
2125 9804 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
5311350 9804 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
CHEMBL444832 9804 2 None - 1 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 581 16 5 5 4.0 NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C 7476898
25195091 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
5773 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
CHEMBL480628 8656 6 None -1 2 Human 8.0 pKi = 8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19117759
44570980 8662 7 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
5774 8662 7 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
CHEMBL480249 8662 7 None -6 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19879867
25195091 8656 6 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
5773 8656 6 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
CHEMBL480628 8656 6 None 1 2 Guinea pig 8.1 pKi = 8.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 411 5 2 3 5.5 Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1 19879867
2132 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
2132 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
2132 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
2132 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
5311424 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
5311424 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
5311424 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
5311424 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
CHEMBL10188 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10188 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 15265501
CHEMBL10188 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 8691422
CHEMBL10188 10516 58 None 1 6 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 9190866
23649245 9782 29 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
5775 9782 29 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
CHEMBL3545233 9782 29 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
DB11692 9782 29 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 459 7 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1 None
5772 10277 0 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 8 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1 11752131
9846078 10277 0 None - 1 Human 8.7 pKi = 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 8 2 4 5.2 CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1 11752131
2087 8701 0 None -79 4 Human 8.9 pKi = 8.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
44570980 8662 7 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
5774 8662 7 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
CHEMBL480249 8662 7 None 6 2 Human 9.0 pKi = 9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 499 8 1 4 5.2 O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1 19117759
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
2110 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
219077 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
3480 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
CHEMBL346178 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11226387
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 11757797
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 12206858
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7476898
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7616392
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 8702757
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9042606
DB04872 9743 38 None -3 6 Human 9.1 pKi = 9.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 9190866
2113 9868 0 None -1 3 Human 9.2 pKi = 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2113 9868 0 None -1 3 Human 9.2 pKi = 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2133 10451 0 None - 1 Human 9.6 pKi = 9.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 620 8 1 3 7.2 CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C 12056557
9938990 10451 0 None - 1 Human 9.6 pKi = 9.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 620 8 1 3 7.2 CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C 12056557
2110 9743 38 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
219077 9743 38 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
3480 9743 38 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
CHEMBL346178 9743 38 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
DB04872 9743 38 None 1 6 Guinea pig 10.0 pKi = 10.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 605 8 0 3 7.4 O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 7830490
2098 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2098 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
36511 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
36511 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3805 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3805 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3835 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3835 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL235363 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL235363 10466 36 None -5248 6 Human 5.5 pKi None 5.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2089 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2089 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
3795 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3795 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5311311 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311311 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL217406 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL217406 9542 28 None -1202 5 Human 5.9 pKi None 5.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
104974 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
104974 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
2111 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
2111 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
3481 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
3481 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
CHEMBL308148 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
CHEMBL308148 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
DB06660 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 12206858
DB06660 10248 31 None -3019 7 Human 6.0 pKi None 6.0 Binding
UnclassifiedUnclassified
Guide to Pharmacology 551 9 1 3 6.4 CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 9190866
2128 8627 0 None - 1 Human 6.0 pKi None 6 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7534879
25088319 8627 0 None - 1 Human 6.0 pKi None 6 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 7534879
2089 9542 28 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
3795 9542 28 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311311 9542 28 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL217406 9542 28 None -758 5 Mouse 6.1 pKi None 6.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2132 10516 58 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
5311424 10516 58 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
CHEMBL10188 10516 58 None -17 6 Rat 7.4 pKi None 7.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 382 5 2 3 5.5 CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1 11226387
108147 10355 36 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2127 10355 36 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL106124 10355 36 None -5 3 Mouse 7.8 pKi None 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2103 8424 0 None - 1 Human 8.3 pKi None 8.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1378096
6437864 8424 0 None - 1 Human 8.3 pKi None 8.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 1378096
2090 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2090 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
5311312 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311312 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
CHEMBL437797 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL437797 9543 25 None 1 4 Human 8.5 pKi None 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 9190866
2090 9543 25 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
5311312 9543 25 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
CHEMBL437797 9543 25 None -1 4 Mouse 8.7 pKi None 8.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2113 9868 0 None 1 3 Mouse 9.2 pKi None 9.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2087 8701 0 None -31 4 Mouse 9.3 pKi None 9.3 Binding
UnclassifiedUnclassified
Guide to Pharmacology None None None None 11226387
2106 10319 4 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858
9875034 10319 4 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858
CHEMBL77023 10319 4 None 1 3 Human 9.5 pKi None 9.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 711 12 1 6 6.4 CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C 12206858