Ligand source activities (1 row/activity)



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Ligands Receptor Assay information Chemical information
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name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Potency)		 # tested GPCRs
(Potency)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
137660341 158963 0 None 141 2 Human 11.0 pEC50 = 11 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1031 17 11 14 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4102192 158963 0 None 141 2 Human 11.0 pEC50 = 11 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1031 17 11 14 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
11169 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
131676677 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
16681432 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
495 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
CHEMBL3301668 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
DB01282 783 34 None 4 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b01691
2042 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
2174 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
2176 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
439302 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
CHEMBL395429 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
DB00107 2923 52 None 1 5 Human 11.0 pEC50 = 11 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
90680085 111000 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 951 18 12 14 -3.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL3277916 111000 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 951 18 12 14 -3.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137654006 158196 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 986 17 13 14 -5.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4093931 158196 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 986 17 13 14 -5.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137653847 158394 0 None 309 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 11 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCCC2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4095930 158394 0 None 309 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 11 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCCC2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137645401 157344 0 None 181 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 977 16 11 14 -2.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4084223 157344 0 None 181 2 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 977 16 11 14 -2.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137650792 156883 0 None 97 2 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 991 18 11 14 -2.4 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4078856 156883 0 None 97 2 Human 10.8 pEC50 = 10.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 991 18 11 14 -2.4 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
137653639 158484 0 None 40 2 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 949 15 11 14 -3.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4096848 158484 0 None 40 2 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 949 15 11 14 -3.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
76073634 115343 2 None 3981 4 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1041 20 11 13 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL3354594 115343 2 None 3981 4 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1041 20 11 13 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
137632034 155731 0 None 48 2 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 20 11 14 -1.6 CCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4065273 155731 0 None 48 2 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 20 11 14 -1.6 CCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
137661047 158932 0 None 48 2 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 20 11 14 -1.6 CCCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4101771 158932 0 None 48 2 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 20 11 14 -1.6 CCCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
155536940 171672 0 None 17 3 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1074 20 12 15 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL4474284 171672 0 None 17 3 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1074 20 12 15 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
137652597 158254 0 None 2 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1034 19 14 15 -4.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4094454 158254 0 None 2 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1034 19 14 15 -4.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137654217 158120 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 987 15 14 14 -5.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4092971 158120 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 987 15 14 14 -5.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NNC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
155565903 175160 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1024 21 13 16 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL4583231 175160 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1024 21 13 16 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
2042 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
2174 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
2176 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
439302 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
CHEMBL395429 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
DB00107 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmcl.2017.12.027
449224 168398 9 None 54 4 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL439044 168398 9 None 54 4 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
2042 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
2174 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
2176 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
439302 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
CHEMBL395429 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
DB00107 2923 52 None 1 5 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2016.05.062
449224 168398 9 None 54 4 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL439044 168398 9 None 54 4 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
137647351 157001 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 995 19 12 15 -3.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4080341 157001 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 995 19 12 15 -3.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137648677 157410 0 None 44 2 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1025 17 11 14 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4084795 157410 0 None 44 2 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1025 17 11 14 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137634607 155554 0 None 11 2 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 16 12 15 -4.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4063150 155554 0 None 11 2 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 16 12 15 -4.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
90680084 110999 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 18 12 14 -3.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL3277915 110999 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 18 12 14 -3.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137661245 158914 0 None 123 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 950 15 11 14 -2.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4101586 158914 0 None 123 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 950 15 11 14 -2.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O 10.1016/j.bmcl.2017.04.030
90285421 114471 0 None -9 2 Human 10.1 pEC50 = 10.1 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL3342789 114471 0 None -9 2 Human 10.1 pEC50 = 10.1 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
3601935 161801 2 None 1 2 Human 10.1 pEC50 = 10.1 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 271 3 1 4 1.9 Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL4165132 161801 2 None 1 2 Human 10.1 pEC50 = 10.1 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 271 3 1 4 1.9 Cn1nccc1NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
137634089 155745 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 981 19 13 15 -4.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4065416 155745 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 981 19 13 15 -4.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
155527198 170602 0 None 8 3 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1056 20 12 14 -2.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL4458988 170602 0 None 8 3 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1056 20 12 14 -2.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
2168 3901 35 None -97 6 Human 10.0 pEC50 = 10 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
2810 3901 35 None -97 6 Human 10.0 pEC50 = 10 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
644077 3901 35 None -97 6 Human 10.0 pEC50 = 10 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
CHEMBL373742 3901 35 None -97 6 Human 10.0 pEC50 = 10 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
DB00067 3901 35 None -97 6 Human 10.0 pEC50 = 10 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL None None None None 10.1021/acs.jmedchem.8b01691
76685194 114472 0 None -5 2 Human 10.0 pEC50 = 10 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL3342790 114472 0 None -5 2 Human 10.0 pEC50 = 10 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
5014150 162293 1 None 1 2 Human 10.0 pEC50 = 10 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 305 3 1 4 2.2 Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL4173036 162293 1 None 1 2 Human 10.0 pEC50 = 10 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
ChEMBL 305 3 1 4 2.2 Cn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
137631348 155881 0 None - 1 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 979 18 11 14 -2.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4066923 155881 0 None - 1 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 979 18 11 14 -2.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137639236 156196 0 None 3 2 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1025 17 11 14 -2.3 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4070577 156196 0 None 3 2 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1025 17 11 14 -2.3 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
18779926 14295 49 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 34 0 0 0 0.1 S 10.1016/j.bmcl.2017.04.030
402 14295 49 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 34 0 0 0 0.1 S 10.1016/j.bmcl.2017.04.030
CHEMBL1200739 14295 49 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 34 0 0 0 0.1 S 10.1016/j.bmcl.2017.04.030
CHEMBL4103942 14295 49 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 34 0 0 0 0.1 S 10.1016/j.bmcl.2017.04.030
137649234 156582 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 10 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4075102 156582 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 10 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137654919 158130 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1041 20 12 14 -1.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4093088 158130 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1041 20 12 14 -1.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
126705667 158430 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 970 17 12 13 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4096331 158430 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 970 17 12 13 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
155532160 171150 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1006 21 13 15 -4.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL4467042 171150 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1006 21 13 15 -4.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
137648427 157293 0 None 20 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4083700 157293 0 None 20 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 991 17 11 14 -2.5 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137652984 158071 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 975 17 10 13 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4092407 158071 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 975 17 10 13 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137659822 158824 0 None 288 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 934 14 10 13 -1.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4100627 158824 0 None 288 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 934 14 10 13 -1.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O 10.1016/j.bmcl.2017.04.030
137641012 156492 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1007 18 12 15 -3.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4073891 156492 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1007 18 12 15 -3.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137639340 156349 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 985 16 12 13 -4.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4072207 156349 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 985 16 12 13 -4.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
118720268 115328 0 None 151 4 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 991 21 12 14 -3.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
CHEMBL3354579 115328 0 None 151 4 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 991 21 12 14 -3.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/acs.jmedchem.8b01691
127051498 140054 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1005 17 10 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL3813771 140054 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1005 17 10 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
2042 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
2174 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
2176 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
439302 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
CHEMBL395429 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
DB00107 2923 52 None 1 5 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL None None None None 10.1016/j.bmc.2018.03.019
137654665 158057 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1023 21 13 15 -3.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4092242 158057 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1023 21 13 15 -3.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
145964703 163488 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 822 12 8 12 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4208981 163488 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 822 12 8 12 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL3814633 210532 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
145975112 163107 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 778 10 8 11 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4204637 163107 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 778 10 8 11 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL3814744 210533 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
137659747 158692 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1091 21 14 15 -2.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4099102 158692 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1091 21 14 15 -2.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
127049296 140133 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL3815099 140133 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
145978563 163246 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 860 11 8 14 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2nnc(C)o2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4206141 163246 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 860 11 8 14 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2nnc(C)o2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
145966784 163885 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 792 10 8 11 -0.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@@H]2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4213896 163885 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 792 10 8 11 -0.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@@H]2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
2042 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2174 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2176 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
439302 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
CHEMBL395429 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
DB00107 2923 52 None 1 5 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
145966470 163762 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 883 13 9 12 0.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CNc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4212399 163762 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 883 13 9 12 0.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CNc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
137654009 158207 0 None 29 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 976 16 10 13 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4094019 158207 0 None 29 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 976 16 10 13 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O 10.1016/j.bmcl.2017.04.030
145974697 164109 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 855 11 8 12 0.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4216826 164109 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 855 11 8 12 0.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL3813894 210525 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
137635522 155584 0 None 7 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 18 13 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4063521 155584 0 None 7 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1019 18 13 14 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O 10.1016/j.bmcl.2017.04.030
145976821 163099 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 821 11 9 12 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4204502 163099 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 821 11 9 12 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
137643372 157550 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 11 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4086714 157550 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1005 17 11 14 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137638040 156202 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1050 22 15 15 -3.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4070617 156202 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1050 22 15 15 -3.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137635922 155416 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1047 19 11 14 -1.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4061446 155416 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1047 19 11 14 -1.1 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137647481 157254 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1081 19 11 14 -0.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4083280 157254 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1081 19 11 14 -0.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
145978698 163048 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 905 14 8 12 -0.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)CCC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4203673 163048 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 905 14 8 12 -0.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)CCC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
145977344 163161 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 934 15 10 13 -1.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4205163 163161 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 934 15 10 13 -1.7 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
11169 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
131676677 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
16681432 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
495 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
CHEMBL3301668 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
DB01282 783 34 None 4 5 Human 8.0 pEC50 = 8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
CHEMBL3814120 210526 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
2042 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
2174 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
2176 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
439302 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
CHEMBL395429 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
DB00107 2923 52 None 1 5 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
CHEMBL1817752 207238 0 None -77 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819550 207271 0 None -47 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819550 207271 0 None -47 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
145960494 161001 0 None 20 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1081 17 11 14 -0.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
CHEMBL4128839 161001 0 None 20 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1081 17 11 14 -0.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
CHEMBL1817761 207247 0 None -338 5 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1817752 207238 0 None -77 4 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1817761 207247 0 None -338 5 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
11454 3508 9 None -93 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
53330936 3508 9 None -93 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
CHEMBL1817709 3508 9 None -93 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
DB12495 3508 9 None -93 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
5329098 98110 75 None 1 3 Human 4.9 pEC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 238 1 2 1 3.1 Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 nan
CHEMBL276711 98110 75 None 1 3 Human 4.9 pEC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 238 1 2 1 3.1 Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 nan
137658241 159048 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 964 16 11 14 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4103260 159048 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 964 16 11 14 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL1819547 207268 0 None -63 4 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819547 207268 0 None -63 4 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
90672737 109958 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 970 17 12 13 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL3246917 109958 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 970 17 12 13 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL3814126 210527 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C 10.1016/j.bmc.2016.05.062
1112934 55787 8 None -1 3 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 425 5 1 5 4.7 N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 nan
CHEMBL1587205 55787 8 None -1 3 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 425 5 1 5 4.7 N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 nan
CHEMBL1625302 55787 8 None -1 3 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 425 5 1 5 4.7 N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 nan
2168 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
2810 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
644077 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
CHEMBL373742 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
DB00067 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
2168 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
2810 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
644077 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
CHEMBL373742 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
DB00067 3901 35 None -97 6 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
CHEMBL1817705 207233 0 None -61 5 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL3813858 210523 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
135506374 137361 19 None -2 4 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None -2 4 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
25161471 54739 14 None -1 2 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 265 4 2 2 3.5 Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 nan
CHEMBL1356933 54739 14 None -1 2 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 265 4 2 2 3.5 Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 nan
CHEMBL1616435 54739 14 None -1 2 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 265 4 2 2 3.5 Oc1ccc(Cl)cc1CNCc1ccc(F)cc1 nan
118716666 114478 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 437 4 1 6 3.5 O=S(=O)(Nc1ccnn1-c1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 10.1021/ml5004348
CHEMBL3342796 114478 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 437 4 1 6 3.5 O=S(=O)(Nc1ccnn1-c1ncc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 10.1021/ml5004348
90286664 114480 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 375 6 1 7 3.0 CCc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C3CC3)ns2)cc1 10.1021/ml5004348
CHEMBL3342798 114480 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 375 6 1 7 3.0 CCc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C3CC3)ns2)cc1 10.1021/ml5004348
CHEMBL1817705 207233 0 None -61 5 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
2369069 178694 7 None -2 3 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 346 3 0 5 4.0 CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 nan
CHEMBL473106 178694 7 None -2 3 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 346 3 0 5 4.0 CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 nan
137658004 159117 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 948 15 10 13 -1.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4104022 159117 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 948 15 10 13 -1.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
90286007 114476 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 382 4 1 5 3.4 Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 10.1021/ml5004348
CHEMBL3342794 114476 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 382 4 1 5 3.4 Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 10.1021/ml5004348
53363016 64454 0 None -28 4 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL 1005 18 12 15 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O 10.1021/jm200278m
CHEMBL1819557 64454 0 None -28 4 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL 1005 18 12 15 -4.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O 10.1021/jm200278m
CHEMBL3814232 210529 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
10444 2285 9 None 2 4 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
139030525 2285 9 None 2 4 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
145711714 2285 9 None 2 4 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4204210 2285 9 None 2 4 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL1819556 207276 0 None -190 4 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
2919564 29973 18 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 404 9 2 5 4.0 COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC nan
CHEMBL1390471 29973 18 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 404 9 2 5 4.0 COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc32)cc1OC nan
90285421 114471 0 None -9 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assayAgonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assay
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL3342789 114471 0 None -9 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assayAgonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assay
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1016/j.ejmech.2017.05.013
90285421 114471 0 None -9 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1021/ml5004348
CHEMBL3342789 114471 0 None -9 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 334 4 1 5 2.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1 10.1021/ml5004348
90285984 114475 5 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 352 4 1 5 2.9 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1F 10.1021/ml5004348
CHEMBL3342793 114475 5 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 352 4 1 5 2.9 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(Cl)cc1F 10.1021/ml5004348
145974945 164153 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 884 13 8 12 0.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4217353 164153 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 884 13 8 12 0.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2COc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
42601352 35160 0 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 282 4 2 3 3.4 Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 nan
CHEMBL1437791 35160 0 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 282 4 2 3 3.4 Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 nan
CHEMBL3211384 35160 0 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 282 4 2 3 3.4 Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1 nan
2042 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2174 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2176 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
439302 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
CHEMBL395429 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
DB00107 2923 52 None -1 5 Mouse 8.7 pEC50 = 8.7 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
11454 3508 9 None -93 5 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
53330936 3508 9 None -93 5 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
CHEMBL1817709 3508 9 None -93 5 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
DB12495 3508 9 None -93 5 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None None 10.1021/jm200278m
127049997 140046 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL3813707 140046 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
155555127 173753 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at human OTR receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1485 46 11 17 7.5 CCCCCCCCCCCCCCCC(=O)N[C@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(OC(=O)OCCCCCCCCCCCCCC)cc2)NC1=O 10.1016/j.bmc.2019.06.018
CHEMBL4550879 173753 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric methodAgonist activity at human OTR receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
ChEMBL 1485 46 11 17 7.5 CCCCCCCCCCCCCCCC(=O)N[C@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(OC(=O)OCCCCCCCCCCCCCC)cc2)NC1=O 10.1016/j.bmc.2019.06.018
6174589 107087 5 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 379 6 2 6 2.0 CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 nan
CHEMBL3189462 107087 5 None -1 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]PUBCHEM_BIOASSAY: Counterscreen for vasopressin 1 receptor (V1R) agonists: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434964 (Confirmation screen (V1R agonists in triplicate)), 434969 (Counterscreen (OXTR agonists in triplicate)), 2797 (Counterscreen (V1R agonists in singlicate))]
ChEMBL 379 6 2 6 2.0 CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1 nan
137651797 156565 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1010 16 10 13 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4074898 156565 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1010 16 10 13 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL3814165 210528 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
135506374 137361 19 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
90285817 114473 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 351 4 1 4 3.5 O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 10.1021/ml5004348
CHEMBL3342791 114473 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 351 4 1 4 3.5 O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1 10.1021/ml5004348
10444 2285 9 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
139030525 2285 9 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
145711714 2285 9 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4204210 2285 9 None -2 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL3814617 210531 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL1817756 207242 0 None -426 5 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
2042 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2174 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
2176 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
439302 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
CHEMBL395429 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
DB00107 2923 52 None 1 5 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL None None None None 10.1021/acs.jmedchem.8b00697
CHEMBL1817756 207242 0 None -426 5 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
23983726 48568 1 None -1 2 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 472 1 3 3 6.2 CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O nan
CHEMBL1559201 48568 1 None -1 2 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 472 1 3 3 6.2 CC1(C)CC[C@@]2(C(=O)O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O nan
3650228 55679 6 None -1 2 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 402 5 2 3 5.1 COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 nan
CHEMBL1549574 55679 6 None -1 2 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 402 5 2 3 5.1 COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 nan
CHEMBL1624349 55679 6 None -1 2 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 402 5 2 3 5.1 COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 nan
921775 41758 7 None - 1 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 304 4 2 4 3.7 COc1ccc(CNc2[nH]cnc3c4ccccc4nc2-3)cc1 nan
CHEMBL1495292 41758 7 None - 1 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for agonists of the Oxytocin Receptor (OXTR). (Class of assay: confirmatory) [Related pubchem assays: 2435 (Primary screen (OXTR agonists in singlicate)), 434991 (Counterscreen (V1R agonists in triplicate)), 2482 (Summary (OXTR agonists)), 434963 (Confirmation screen (OXTR agonists in triplicate))]
ChEMBL 304 4 2 4 3.7 COc1ccc(CNc2[nH]cnc3c4ccccc4nc2-3)cc1 nan
145973088 164139 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 681 9 8 10 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4217226 164139 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 681 9 8 10 -1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
135413563 122402 19 None -3 3 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 600 4 2 7 4.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL360648 122402 19 None -3 3 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 600 4 2 7 4.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3813879 210524 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C 10.1016/j.bmc.2016.05.062
CHEMBL1819548 207269 0 None -53 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
135506374 137361 19 None 1 4 Mouse 7.5 pEC50 = 7.5 Functional
Agonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assayAgonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.7b00965
CHEMBL3763342 137361 19 None 1 4 Mouse 7.5 pEC50 = 7.5 Functional
Agonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assayAgonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.7b00965
CHEMBL1819548 207269 0 None -53 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819549 207270 0 None -47 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
145963213 160922 0 None -8 4 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1095 17 11 14 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
CHEMBL4127791 160922 0 None -8 4 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1095 17 11 14 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
135506374 137361 19 None -2 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None -2 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
2042 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
2174 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
2176 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
439302 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
CHEMBL395429 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
DB00107 2923 52 None 1 5 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL None None None None 10.1016/j.ejmech.2015.11.050
CHEMBL1819541 207262 0 None -14 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819541 207262 0 None -14 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
137640630 156506 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1007 20 12 14 -2.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4074033 156506 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1007 20 12 14 -2.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
137656718 158994 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 941 17 10 13 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4102595 158994 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 941 17 10 13 -2.4 CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
145975622 163192 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 918 11 8 13 -1.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCCN(C)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4205509 163192 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 918 11 8 13 -1.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCCN(C)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL1819549 207270 0 None -47 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
145972114 164064 0 None -3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 515 4 2 6 3.4 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4216174 164064 0 None -3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 515 4 2 6 3.4 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL1817707 207235 0 None -194 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
CHEMBL1817706 207234 0 None -309 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
CHEMBL1817707 207235 0 None -194 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
CHEMBL1817706 207234 0 None -309 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
CHEMBL1817704 207232 0 None -257 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
135413563 122402 19 None -3 3 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assayAgonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assay
ChEMBL 600 4 2 7 4.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL360648 122402 19 None -3 3 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assayAgonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assay
ChEMBL 600 4 2 7 4.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL1817704 207232 0 None -257 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
145962220 161017 0 None 87 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1095 17 11 14 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
CHEMBL4129142 161017 0 None 87 4 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1095 17 11 14 -0.8 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
127049996 140063 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL3813883 140063 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
137637782 155450 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 949 15 11 14 -3.6 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4061946 155450 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 949 15 11 14 -3.6 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL3814395 210530 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
137654636 157977 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 16 12 15 -4.6 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
CHEMBL4091483 157977 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 965 16 12 15 -4.6 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1016/j.bmcl.2017.04.030
11169 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
131676677 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
16681432 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
495 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
CHEMBL3301668 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
DB01282 783 34 None 4 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
135506374 137361 19 None -2 4 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assayAgonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2017.10.059
CHEMBL3763342 137361 19 None -2 4 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assayAgonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2017.10.059
135506374 137361 19 None -2 4 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assayAgonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2015.11.050
CHEMBL3763342 137361 19 None -2 4 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assayAgonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2015.11.050
CHEMBL1817708 207236 0 None -53 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1817708 207236 0 None -53 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
90285722 114477 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 400 5 1 6 3.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 10.1021/ml5004348
CHEMBL3342795 114477 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 400 5 1 6 3.7 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 10.1021/ml5004348
2042 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
2174 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
2176 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
439302 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
CHEMBL395429 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
DB00107 2923 52 None 1 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
137648249 157432 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 992 17 11 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4085152 157432 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 992 17 11 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC1=O 10.1016/j.bmcl.2017.04.030
145975847 163159 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 882 13 8 11 1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4205128 163159 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 882 13 8 11 1.0 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
145977939 163384 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 724 10 9 11 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4207691 163384 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 724 10 9 11 -2.2 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL3813722 210521 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
90285477 114474 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 388 4 1 6 3.5 Cc1csc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 10.1021/ml5004348
CHEMBL3342792 114474 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 388 4 1 6 3.5 Cc1csc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 10.1021/ml5004348
10444 2285 9 None -2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
139030525 2285 9 None -2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
145711714 2285 9 None -2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4204210 2285 9 None -2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAgonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
145964151 163744 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 958 12 8 13 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC(N3CCCC3)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL4212247 163744 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
ChEMBL 958 12 8 13 -0.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC(N3CCCC3)CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.12.027
CHEMBL3813729 210522 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
135506374 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2015.11.050
CHEMBL3763342 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assayAgonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1016/j.ejmech.2015.11.050
135506374 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 dye based FLIPR assayAgonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 dye based FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 dye based FLIPR assayAgonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 dye based FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
135506374 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assayAgonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.7b00965
CHEMBL3763342 137361 19 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assayAgonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.7b00965
10444 2285 9 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
139030525 2285 9 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
145711714 2285 9 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4204210 2285 9 None -2 4 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayAgonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 531 4 2 6 4.2 Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C 10.1021/acs.jmedchem.8b00697
11169 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
131676677 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
16681432 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
495 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
CHEMBL3301668 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
DB01282 783 34 None -29 5 Mouse 7.2 pEC50 = 7.2 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL None None None CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C 10.1021/acs.jmedchem.8b00697
127051499 140067 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL3813982 140067 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assayAgonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
ChEMBL 1019 17 9 14 -1.9 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2016.05.062
CHEMBL1819440 207259 19 None -204 5 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
CHEMBL1819440 207259 19 None -204 5 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O 10.1021/jm200278m
90285806 114479 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 432 5 1 7 2.4 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 10.1021/ml5004348
CHEMBL3342797 114479 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 432 5 1 7 2.4 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 10.1021/ml5004348
CHEMBL1817759 207245 0 None -53 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
135506374 137361 19 None 1 4 Mouse 7.1 pEC50 = 7.1 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None 1 4 Mouse 7.1 pEC50 = 7.1 Functional
Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayAgonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL1817759 207245 0 None -53 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
2042 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
2174 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
2176 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
439302 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
CHEMBL395429 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
DB00107 2923 52 None 1 5 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assayAgonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
ChEMBL None None None None 10.1021/jm501395b
76685194 114472 0 None -5 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assayAgonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assay
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
CHEMBL3342790 114472 0 None -5 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assayAgonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assay
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1016/j.ejmech.2017.05.013
76685194 114472 0 None -5 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1021/ml5004348
CHEMBL3342790 114472 0 None -5 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR methodAgonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
ChEMBL 368 4 1 5 3.1 O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(C(F)(F)F)cc1 10.1021/ml5004348
2168 3901 35 None -97 6 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
2810 3901 35 None -97 6 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
644077 3901 35 None -97 6 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
CHEMBL373742 3901 35 None -97 6 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
DB00067 3901 35 None -97 6 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assayAgonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
ChEMBL None None None None 10.1021/jm1016208
CHEMBL1817763 207249 0 None -63 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1817763 207249 0 None -63 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
135506374 137361 19 None -2 4 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OTR stably expressed in HEK cells by calcium flux assayAgonist activity at human OTR stably expressed in HEK cells by calcium flux assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
CHEMBL3763342 137361 19 None -2 4 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human OTR stably expressed in HEK cells by calcium flux assayAgonist activity at human OTR stably expressed in HEK cells by calcium flux assay
ChEMBL 581 5 4 8 4.1 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 10.1021/acs.jmedchem.8b00697
137652261 156578 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1006 18 11 14 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4075079 156578 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1006 18 11 14 -1.6 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL1819543 207264 0 None -18 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1819543 207264 0 None -18 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1021/jm200278m
137653770 158206 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1063 20 12 15 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL4094014 158206 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1063 20 12 15 -2.3 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmcl.2017.04.030
CHEMBL1817758 207244 0 None -63 3 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
CHEMBL1817758 207244 0 None -63 3 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assayAgonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
ChEMBL None None None CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O 10.1021/jm200278m
90663156 106111 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Ability to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptorAbility to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptor
ChEMBL 1377 36 13 17 0.6 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O 10.1021/jm010125u
CHEMBL3142545 106111 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Ability to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptorAbility to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptor
ChEMBL 1377 36 13 17 0.6 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O 10.1021/jm010125u
CHEMBL3142790 106111 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Ability to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptorAbility to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptor
ChEMBL 1377 36 13 17 0.6 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(SCCC(N)=O)CCCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O)[C@@H](C)O 10.1021/jm010125u
44459839 99362 0 None - 1 Human 9.0 pIC50 = 9 Functional
Inhibitory concentration required for antagonist activity against oxytocin receptorInhibitory concentration required for antagonist activity against oxytocin receptor
ChEMBL 573 12 3 7 2.3 CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O 10.1016/s0960-894x(01)00201-3
CHEMBL285608 99362 0 None - 1 Human 9.0 pIC50 = 9 Functional
Inhibitory concentration required for antagonist activity against oxytocin receptorInhibitory concentration required for antagonist activity against oxytocin receptor
ChEMBL 573 12 3 7 2.3 CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2cccs2)C(N)=O)C1=O 10.1016/s0960-894x(01)00201-3
155520603 169925 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 431 6 0 7 4.0 COCc1nnc(N2CCC(c3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4449435 169925 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 431 6 0 7 4.0 COCc1nnc(N2CCC(c3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
10411308 199539 0 None -39 3 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at OXR receptor (unknown origin)Antagonist activity at OXR receptor (unknown origin)
ChEMBL 446 4 1 2 6.6 O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 10.1021/acs.jmedchem.8b00697
CHEMBL603708 199539 0 None -39 3 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at OXR receptor (unknown origin)Antagonist activity at OXR receptor (unknown origin)
ChEMBL 446 4 1 2 6.6 O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 10.1021/acs.jmedchem.8b00697
2213 515 43 None 12 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL None None None None 10.1016/j.bmcl.2005.10.107
3008 515 43 None 12 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL None None None None 10.1016/j.bmcl.2005.10.107
5311010 515 43 None 12 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL None None None None 10.1016/j.bmcl.2005.10.107
CHEMBL382301 515 43 None 12 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL None None None None 10.1016/j.bmcl.2005.10.107
DB09059 515 43 None 12 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL None None None None 10.1016/j.bmcl.2005.10.107
155517601 169610 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 444 6 0 8 2.9 COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)C3C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4444840 169610 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 444 6 0 8 2.9 COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)C3C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
155516256 169460 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 473 7 0 8 4.2 COCc1nnc(N2C3CCC2CC(Oc2ccc(F)cc2Cl)C3)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4442843 169460 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 473 7 0 8 4.2 COCc1nnc(N2C3CCC2CC(Oc2ccc(F)cc2Cl)C3)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
9824954 73497 0 None -43 3 Rat 5.9 pIC50 = 5.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL 449 2 1 5 5.5 Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2005.10.107
CHEMBL201889 73497 0 None -43 3 Rat 5.9 pIC50 = 5.9 Functional
Antagonism of OT-induced response at OT receptor in rat uterine stripsAntagonism of OT-induced response at OT receptor in rat uterine strips
ChEMBL 449 2 1 5 5.5 Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2005.10.107
44458614 98621 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonistic activity against Oxytocin receptorAntagonistic activity against Oxytocin receptor
ChEMBL 571 7 2 5 3.7 C[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC3CCC2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1 10.1021/jm970342o
CHEMBL280678 98621 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonistic activity against Oxytocin receptorAntagonistic activity against Oxytocin receptor
ChEMBL 571 7 2 5 3.7 C[C@@H](O)CN1CCC[C@@H](C(=O)NC2CC3CCC2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1 10.1021/jm970342o
142391767 169064 0 None 6 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 442 5 0 7 3.7 COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 10.1021/acsmedchemlett.9b00186
CHEMBL4437214 169064 0 None 6 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 442 5 0 7 3.7 COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc2c(c1)OCO2 10.1021/acsmedchemlett.9b00186
155542139 172500 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 473 7 0 8 3.9 COCc1nnc(N2C[C@H]3C[C@@H](Oc4ccc(F)cc4Cl)C[C@H]3C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4519861 172500 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 473 7 0 8 3.9 COCc1nnc(N2C[C@H]3C[C@@H](Oc4ccc(F)cc4Cl)C[C@H]3C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
135413562 2166 12 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 624 14 3 7 1.1 CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C 10.1021/jm050645f
2194 2166 12 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 624 14 3 7 1.1 CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C 10.1021/jm050645f
CHEMBL445816 2166 12 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 624 14 3 7 1.1 CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C 10.1021/jm050645f
135493119 78644 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 569 11 2 7 3.3 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113201 78644 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 569 11 2 7 3.3 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
135192983 175534 8 None 190 4 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4591825 175534 8 None 190 4 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
135399831 78637 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 597 11 2 8 2.7 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113189 78637 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 597 11 2 8 2.7 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
145961670 160805 0 None -123 4 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by oxytocin addition measured for 5 mins by Fluo-4-AM dye based FLIPR assayAntagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by oxytocin addition measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1139 19 14 15 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
CHEMBL4126100 160805 0 None -123 4 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by oxytocin addition measured for 5 mins by Fluo-4-AM dye based FLIPR assayAntagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by oxytocin addition measured for 5 mins by Fluo-4-AM dye based FLIPR assay
ChEMBL 1139 19 14 15 -2.5 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 10.1016/j.bmc.2018.03.019
135192979 175255 0 None 41 4 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 485 7 0 8 3.5 COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4585239 175255 0 None 41 4 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 485 7 0 8 3.5 COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
135192895 173404 0 None 8 2 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 485 7 0 8 3.5 COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4542267 173404 0 None 8 2 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 485 7 0 8 3.5 COc1ccc(-n2c(CO[C@@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
135192936 172417 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2CC3CC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4518063 172417 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2CC3CC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
11683187 198240 35 None 20 2 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL594828 198240 35 None 20 2 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
135193003 174802 0 None 3 3 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 424 5 0 7 3.3 COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4575160 174802 0 None 3 3 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 424 5 0 7 3.3 COc1ccc(-n2c(CC#N)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
155558305 174159 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 459 6 0 8 3.0 COCc1nnc(N2CC3COCC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4560499 174159 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 459 6 0 8 3.0 COCc1nnc(N2CC3COCC3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
146238444 171094 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 417 6 0 7 3.6 COCc1nnc(N2CCC(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4466263 171094 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 417 6 0 7 3.6 COCc1nnc(N2CCC(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
155554422 174017 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 445 7 0 7 4.0 COCc1nnc(C2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4557241 174017 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 445 7 0 7 4.0 COCc1nnc(C2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
11465834 137881 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assay
ChEMBL 483 6 1 3 3.3 CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F 10.1021/jm060073e
CHEMBL377414 137881 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Agonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assayAgonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assay
ChEMBL 483 6 1 3 3.3 CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F 10.1021/jm060073e
135192928 174322 0 None 125 4 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4564411 174322 0 None 125 4 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
1103817 16808 13 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 492 8 2 6 3.1 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 10.1021/jm050645f
CHEMBL1254117 16808 13 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 492 8 2 6 3.1 CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 10.1021/jm050645f
135530014 78634 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 526 9 3 6 2.9 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
CHEMBL2113179 78634 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 526 9 3 6 2.9 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
145976595 163152 0 None -5 3 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at OXR receptor (unknown origin)Antagonist activity at OXR receptor (unknown origin)
ChEMBL 408 2 1 4 4.9 Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 10.1021/acs.jmedchem.8b00697
CHEMBL4205046 163152 0 None -5 3 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at OXR receptor (unknown origin)Antagonist activity at OXR receptor (unknown origin)
ChEMBL 408 2 1 4 4.9 Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 10.1021/acs.jmedchem.8b00697
2213 515 43 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
ChEMBL None None None None 10.1016/j.ejmech.2017.05.013
3008 515 43 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
ChEMBL None None None None 10.1016/j.ejmech.2017.05.013
5311010 515 43 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
ChEMBL None None None None 10.1016/j.ejmech.2017.05.013
CHEMBL382301 515 43 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
ChEMBL None None None None 10.1016/j.ejmech.2017.05.013
DB09059 515 43 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assayAntagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
ChEMBL None None None None 10.1016/j.ejmech.2017.05.013
155564470 174842 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 411 5 0 8 2.5 COCc1nnc(N2CC3(CCc4cc(F)ccc4O3)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4576147 174842 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 411 5 0 8 2.5 COCc1nnc(N2CC3(CCc4cc(F)ccc4O3)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
137212772 137400 0 None -3 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins followed by agonist addition measured after 1 hr by HTRF assayAntagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins followed by agonist addition measured after 1 hr by HTRF assay
ChEMBL 609 7 2 8 4.7 COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 10.1016/j.ejmech.2017.10.059
CHEMBL3763951 137400 0 None -3 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins followed by agonist addition measured after 1 hr by HTRF assayAntagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins followed by agonist addition measured after 1 hr by HTRF assay
ChEMBL 609 7 2 8 4.7 COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 10.1016/j.ejmech.2017.10.059
137212772 137400 0 None -3 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assayAntagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assay
ChEMBL 609 7 2 8 4.7 COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 10.1016/j.ejmech.2015.11.050
CHEMBL3763951 137400 0 None -3 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assayAntagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assay
ChEMBL 609 7 2 8 4.7 COc1cc(CN2CCN(C(=O)NCc3ccc(C(=O)N4Cc5cnn(C)c5Nc5ccccc54)cc3C)CC2)cc(OC)c1 10.1016/j.ejmech.2015.11.050
135192889 173467 0 None 25 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 425 5 0 6 4.1 COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4543809 173467 0 None 25 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 425 5 0 6 4.1 COc1ccc(-n2c(C3CC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
135192997 173248 0 None 18 4 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 461 8 0 7 3.7 COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4538696 173248 0 None 18 4 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 461 8 0 7 3.7 COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
135508167 78633 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 596 10 3 8 2.8 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
CHEMBL2113177 78633 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 596 10 3 8 2.8 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
44459838 99148 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Inhibitory concentration required for antagonist activity against oxytocin receptorInhibitory concentration required for antagonist activity against oxytocin receptor
ChEMBL 635 12 3 6 3.6 CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O 10.1016/s0960-894x(01)00201-3
CHEMBL284120 99148 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Inhibitory concentration required for antagonist activity against oxytocin receptorInhibitory concentration required for antagonist activity against oxytocin receptor
ChEMBL 635 12 3 6 3.6 CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O 10.1016/s0960-894x(01)00201-3
142391805 173395 0 None 35 2 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 435 5 0 6 4.2 COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4541860 173395 0 None 35 2 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 435 5 0 6 4.2 COc1ccc(-n2c(C(F)F)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
145952624 161823 0 None -1 4 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 889 21 2 10 3.3 CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
CHEMBL4165525 161823 0 None -1 4 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 889 21 2 10 3.3 CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
3537 3929 14 None -3 4 Rat 7.3 pIC50 = 7.3 Functional
Antagonist activity at OXR receptor in rat uterusAntagonist activity at OXR receptor in rat uterus
ChEMBL 402 2 0 4 4.8 Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 10.1021/acs.jmedchem.8b00697
5311500 3929 14 None -3 4 Rat 7.3 pIC50 = 7.3 Functional
Antagonist activity at OXR receptor in rat uterusAntagonist activity at OXR receptor in rat uterus
ChEMBL 402 2 0 4 4.8 Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 10.1021/acs.jmedchem.8b00697
CHEMBL363910 3929 14 None -3 4 Rat 7.3 pIC50 = 7.3 Functional
Antagonist activity at OXR receptor in rat uterusAntagonist activity at OXR receptor in rat uterus
ChEMBL 402 2 0 4 4.8 Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 10.1021/acs.jmedchem.8b00697
145957924 161532 0 None -2 4 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 886 20 2 10 3.4 CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
CHEMBL4161021 161532 0 None -2 4 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 886 20 2 10 3.4 CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
2213 515 43 None -12 2 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL None None None None 10.1021/jm050645f
3008 515 43 None -12 2 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL None None None None 10.1021/jm050645f
5311010 515 43 None -12 2 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL None None None None 10.1021/jm050645f
CHEMBL382301 515 43 None -12 2 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL None None None None 10.1021/jm050645f
DB09059 515 43 None -12 2 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL None None None None 10.1021/jm050645f
135469700 78646 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 555 10 2 7 2.9 CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113203 78646 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 555 10 2 7 2.9 CN(C)CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
145974527 164197 0 None -67 2 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAntagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 491 5 3 6 3.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4217872 164197 0 None -67 2 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAntagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 491 5 3 6 3.3 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=S)N(C)C 10.1021/acs.jmedchem.8b00697
11683187 198240 35 None 20 2 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based assayAntagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acs.jmedchem.8b00697
CHEMBL594828 198240 35 None 20 2 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based assayAntagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acs.jmedchem.8b00697
135192930 170199 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@H]3C[C@@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4452863 170199 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 429 6 0 7 3.4 COCc1nnc(N2C[C@H]3C[C@@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
11683187 198240 35 None 20 2 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assayAntagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acs.jmedchem.8b00697
CHEMBL594828 198240 35 None 20 2 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assayAntagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assay
ChEMBL 419 7 0 8 2.9 COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acs.jmedchem.8b00697
2252 2191 42 None -141 4 Rat 6.2 pIC50 = 6.2 Functional
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)
ChEMBL 507 5 0 6 3.8 COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C 10.1016/s0960-894x(02)00160-9
6918320 2191 42 None -141 4 Rat 6.2 pIC50 = 6.2 Functional
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)
ChEMBL 507 5 0 6 3.8 COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C 10.1016/s0960-894x(02)00160-9
CHEMBL24781 2191 42 None -141 4 Rat 6.2 pIC50 = 6.2 Functional
Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)
ChEMBL 507 5 0 6 3.8 COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C 10.1016/s0960-894x(02)00160-9
155537980 171758 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 397 5 0 8 2.2 COCc1nnc(N2CC3(C2)OCc2cc(F)ccc23)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4475530 171758 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 397 5 0 8 2.2 COCc1nnc(N2CC3(C2)OCc2cc(F)ccc23)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
145953024 162028 0 None -15 5 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 886 20 2 10 3.4 CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
CHEMBL4168948 162028 0 None -15 5 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence methodAntagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
ChEMBL 886 20 2 10 3.4 CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC 10.1021/acs.jmedchem.8b00885
9871105 98202 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonistic activity against Oxytocin receptorAntagonistic activity against Oxytocin receptor
ChEMBL 513 5 2 4 3.6 CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(NC(=O)C1CCCNC1)C2 10.1021/jm970342o
CHEMBL277400 98202 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonistic activity against Oxytocin receptorAntagonistic activity against Oxytocin receptor
ChEMBL 513 5 2 4 3.6 CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(NC(=O)C1CCCNC1)C2 10.1021/jm970342o
135476004 78636 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 597 10 2 8 2.7 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
CHEMBL2113185 78636 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 597 10 2 8 2.7 O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21 10.1021/jm050645f
135414531 78651 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 586 13 2 8 3.1 COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113208 78651 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 586 13 2 8 3.1 COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
145970269 163018 0 None -15 2 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAntagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 475 5 3 6 2.5 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C 10.1021/acs.jmedchem.8b00697
CHEMBL4203314 163018 0 None -15 2 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assayAntagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
ChEMBL 475 5 3 6 2.5 Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C 10.1021/acs.jmedchem.8b00697
135469685 78654 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 542 10 2 7 3.0 COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113211 78654 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 542 10 2 7 3.0 COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
135192948 175032 0 None 5 2 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 499 7 0 8 3.9 COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
CHEMBL4580413 175032 0 None 5 2 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 499 7 0 8 3.9 COc1ccc(-n2c(COC3CCOCC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 10.1021/acsmedchemlett.9b00186
135530164 78643 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 570 11 2 8 2.7 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
CHEMBL2113200 78643 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cellsInhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
ChEMBL 570 11 2 8 2.7 CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccncc32)c2ccc(Cl)cc2)cc1 10.1021/jm050645f
155568614 175541 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 444 6 0 8 2.9 COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)CC32)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4591943 175541 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 444 6 0 8 2.9 COCc1nnc(N2CC3CN(c4ccc(F)cc4Cl)CC32)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
11634973 74974 11 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 518 6 1 5 2.8 CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C 10.1021/acsmedchemlett.9b00186
CHEMBL2037511 74974 11 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 518 6 1 5 2.8 CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C 10.1021/acsmedchemlett.9b00186
135192932 170952 0 None 190 4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 443 7 0 7 3.8 CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4464246 170952 0 None 190 4 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 443 7 0 7 3.8 CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
155565553 175024 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 446 7 0 8 2.9 COCc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186
CHEMBL4580192 175024 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assayAntagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
ChEMBL 446 7 0 8 2.9 COCc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1 10.1021/acsmedchemlett.9b00186