Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
CHEMBL218994 | 216182 | 0 | None | 1 | 2 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL1165734 | 215306 | 0 | None | - | 1 | Rat | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL1163460 | 215297 | 0 | None | - | 1 | Rat | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL1163463 | 215298 | 7 | None | - | 1 | Rat | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL390094 | 219216 | 1 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL1163467 | 215299 | 0 | None | - | 1 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL1165797 | 215313 | 0 | None | - | 1 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL1165767 | 215309 | 0 | None | - | 1 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
44189349 | 188574 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1059 | 18 | 13 | 14 | -0.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4777970 | 188574 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1059 | 18 | 13 | 14 | -0.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL577772 | 222556 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
CHEMBL577772 | 222556 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm900683d | ||||
CHEMBL1165735 | 215307 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
CHEMBL504097 | 220953 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL1163473 | 215301 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
162650062 | 186869 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 944 | 14 | 11 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4748168 | 186869 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 944 | 14 | 11 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL437430 | 220497 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1016/j.bmc.2009.07.058 | ||||
145965592 | 171195 | 0 | None | 33 | 2 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213538 | 171195 | 0 | None | 33 | 2 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145973990 | 171464 | 0 | None | 181 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | 181 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL524855 | 222401 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL510618 | 222364 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
162646037 | 186293 | 0 | None | 1737 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4741230 | 186293 | 0 | None | 1737 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL1165796 | 215312 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
CHEMBL1165793 | 215310 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm901294u | ||||
CHEMBL1165794 | 215311 | 1 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
CHEMBL2372899 | 217083 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL385616 | 219137 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL53181 | 222487 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0111043 | ||||
CHEMBL2372897 | 217082 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0111043 | ||||
145967082 | 170880 | 0 | None | 416 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | 416 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
162663320 | 188796 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1072 | 19 | 13 | 14 | -0.4 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4780734 | 188796 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1072 | 19 | 13 | 14 | -0.4 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
162648628 | 186634 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 897 | 24 | 13 | 11 | -0.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4745321 | 186634 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 897 | 24 | 13 | 11 | -0.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL593663 | 222593 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
162644923 | 186208 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 911 | 25 | 12 | 11 | -0.1 | COc1ccc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4740325 | 186208 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 911 | 25 | 12 | 11 | -0.1 | COc1ccc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00164 | ||
145978068 | 170515 | 0 | None | 1 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4205274 | 170515 | 0 | None | 1 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145973104 | 171508 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4217514 | 171508 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL406590 | 219394 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL505358 | 220971 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
162655718 | 187476 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 884 | 23 | 13 | 11 | 0.1 | C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4755542 | 187476 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 884 | 23 | 13 | 11 | 0.1 | C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
24953411 | 20855 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197619 | 20855 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL578654 | 20855 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
162668637 | 189426 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4788762 | 189426 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
24952710 | 20840 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197510 | 20840 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574732 | 20840 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24953059 | 20837 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197507 | 20837 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574726 | 20837 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
162660425 | 188077 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1044 | 29 | 14 | 13 | -0.1 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4762329 | 188077 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1044 | 29 | 14 | 13 | -0.1 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
2151 | 7032 | 9 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1016/j.bmc.2010.04.041 | ||
9797568 | 7032 | 9 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL192359 | 7032 | 9 | None | -2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1016/j.bmc.2010.04.041 | ||
15983447 | 92422 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 8 | 1 | 2 | 5.1 | CN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228413 | 92422 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 8 | 1 | 2 | 5.1 | CN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
15983564 | 92441 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 4.4 | Cc1ccc(C(CCN(C)C)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228525 | 92441 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 4.4 | Cc1ccc(C(CCN(C)C)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
10407901 | 17616 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 0 | 4 | 5.0 | CN(C)CCC1(c2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172234 | 17616 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 0 | 4 | 5.0 | CN(C)CCC1(c2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
49799325 | 21155 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 5.1 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccc3ccccc3c2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173106 | 21155 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 5.1 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccc3ccccc3c2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200251 | 21155 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 379 | 4 | 0 | 3 | 5.1 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccc3ccccc3c2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
145967082 | 170880 | 0 | None | -416 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | -416 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
46897997 | 21138 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 372 | 5 | 0 | 3 | 3.8 | COc1cccc2c1CC(CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172407 | 21138 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 372 | 5 | 0 | 3 | 3.8 | COc1cccc2c1CC(CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200175 | 21138 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 372 | 5 | 0 | 3 | 3.8 | COc1cccc2c1CC(CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O | 10.1016/j.bmc.2010.04.041 | ||
145965592 | 171195 | 0 | None | 33 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213538 | 171195 | 0 | None | 33 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL607810 | 222612 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
145977587 | 170465 | 0 | None | 14 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | 14 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24954831 | 20835 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197503 | 20835 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574527 | 20835 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
145977223 | 170769 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145965592 | 171195 | 0 | None | -33 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213538 | 171195 | 0 | None | -33 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24953055 | 20824 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197455 | 20824 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572883 | 20824 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
11983241 | 92430 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 410 | 7 | 1 | 2 | 5.2 | CN(C)CCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228470 | 92430 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 410 | 7 | 1 | 2 | 5.2 | CN(C)CCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL607811 | 222613 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
145977587 | 170465 | 0 | None | 14 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | 14 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL2372905 | 217089 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
11325792 | 146945 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 357 | 4 | 0 | 3 | 4.5 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)cc1)C2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL380346 | 146945 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 357 | 4 | 0 | 3 | 4.5 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)cc1)C2 | 10.1016/j.bmc.2010.04.041 | ||
15983822 | 92621 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 5.7 | CN(C)CCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229713 | 92621 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 5.7 | CN(C)CCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
162666444 | 189051 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 744 | 20 | 10 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4783832 | 189051 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 744 | 20 | 10 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
49799029 | 21158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 5 | 0 | 3 | 4.9 | CN(C)CCC1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173147 | 21158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 5 | 0 | 3 | 4.9 | CN(C)CCC1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200258 | 21158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 5 | 0 | 3 | 4.9 | CN(C)CCC1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
15983820 | 168526 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 390 | 9 | 1 | 3 | 4.6 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL413787 | 168526 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 390 | 9 | 1 | 3 | 4.6 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
162664787 | 188993 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 895 | 24 | 13 | 11 | -1.0 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4783104 | 188993 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 895 | 24 | 13 | 11 | -1.0 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL3104471 | 217842 | 7 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||||
44409467 | 81530 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL203080 | 81530 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572699 | 81530 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
49799289 | 21168 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 5.0 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc3ccccc3c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173399 | 21168 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 5.0 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc3ccccc3c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200283 | 21168 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 5.0 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc3ccccc3c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
145966260 | 171165 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213101 | 171165 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL2372904 | 217088 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
145977223 | 170769 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
162671682 | 189668 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 942 | 25 | 13 | 13 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4792095 | 189668 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 942 | 25 | 13 | 13 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
15983443 | 144112 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.7 | COc1ccc(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL375275 | 144112 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.7 | COc1ccc(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
15983686 | 144864 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 322 | 7 | 1 | 2 | 3.8 | Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL376582 | 144864 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 322 | 7 | 1 | 2 | 3.8 | Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
162649626 | 186846 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1072 | 31 | 15 | 14 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4747883 | 186846 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1072 | 31 | 15 | 14 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL608099 | 222616 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
15983445 | 92421 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 344 | 8 | 1 | 2 | 4.1 | CN(C)CCC(NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228412 | 92421 | 1 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 344 | 8 | 1 | 2 | 4.1 | CN(C)CCC(NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
145973990 | 171464 | 0 | None | 181 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | 181 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
49798987 | 21142 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 373 | 5 | 0 | 4 | 4.2 | COc1ccc2c(c1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172604 | 21142 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 373 | 5 | 0 | 4 | 4.2 | COc1ccc2c(c1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200193 | 21142 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 373 | 5 | 0 | 4 | 4.2 | COc1ccc2c(c1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
15983693 | 176172 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 4.2 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL442230 | 176172 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 4.2 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
162669582 | 189508 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 641 | 17 | 8 | 7 | 1.3 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4789784 | 189508 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 641 | 17 | 8 | 7 | 1.3 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
145973104 | 171508 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4217514 | 171508 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
11524599 | 83502 | 1 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 330 | 7 | 1 | 2 | 3.7 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL206596 | 83502 | 1 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 330 | 7 | 1 | 2 | 3.7 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
145978068 | 170515 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4205274 | 170515 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL2372903 | 217087 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
49799280 | 21162 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 4 | 1 | 3 | 3.6 | CNCCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173239 | 21162 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 4 | 1 | 3 | 3.6 | CNCCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200268 | 21162 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 4 | 1 | 3 | 3.6 | CNCCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
24954830 | 20818 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197440 | 20818 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572398 | 20818 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
15983690 | 92691 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 352 | 8 | 1 | 3 | 3.8 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229924 | 92691 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 352 | 8 | 1 | 3 | 3.8 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL1163471 | 215300 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
CHEMBL298803 | 217683 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/jm0111043 | ||||
CHEMBL427632 | 220137 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL408106 | 219480 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL426020 | 220122 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL2372896 | 217081 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
145967082 | 170880 | 0 | None | 416 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | 416 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL608098 | 222615 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
162662463 | 188812 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 744 | 20 | 10 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4780893 | 188812 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 744 | 20 | 10 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
24795079 | 20825 | 4 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197471 | 20825 | 4 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573392 | 20825 | 4 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
46897998 | 21127 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 5 | 0 | 2 | 4.6 | CC(C)N1C(=O)c2ccccc2CC1(CCN(C)C)c1ccc(Cl)cc1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172180 | 21127 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 5 | 0 | 2 | 4.6 | CC(C)N1C(=O)c2ccccc2CC1(CCN(C)C)c1ccc(Cl)cc1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200148 | 21127 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 5 | 0 | 2 | 4.6 | CC(C)N1C(=O)c2ccccc2CC1(CCN(C)C)c1ccc(Cl)cc1 | 10.1016/j.bmc.2010.04.041 | ||
46897996 | 21136 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 342 | 4 | 0 | 2 | 3.8 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)N1C | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172224 | 21136 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 342 | 4 | 0 | 2 | 3.8 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)N1C | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200156 | 21136 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 342 | 4 | 0 | 2 | 3.8 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)N1C | 10.1016/j.bmc.2010.04.041 | ||
15983570 | 92647 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 392 | 8 | 1 | 2 | 4.8 | Cc1ccc(C(CCN(C)C)NC(=O)CCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229868 | 92647 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 392 | 8 | 1 | 2 | 4.8 | Cc1ccc(C(CCN(C)C)NC(=O)CCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
162670598 | 189701 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4792481 | 189701 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL2372895 | 217080 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
49799327 | 21159 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 390 | 9 | 0 | 4 | 4.4 | C=CCN(CC=C)c1cccc(C2(CCN(C)C)Cc3ccccc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173170 | 21159 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 390 | 9 | 0 | 4 | 4.4 | C=CCN(CC=C)c1cccc(C2(CCN(C)C)Cc3ccccc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200259 | 21159 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 390 | 9 | 0 | 4 | 4.4 | C=CCN(CC=C)c1cccc(C2(CCN(C)C)Cc3ccccc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
162677235 | 190274 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4799581 | 190274 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
2151 | 7032 | 9 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm901294u | ||
9797568 | 7032 | 9 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm901294u | ||
CHEMBL192359 | 7032 | 9 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm901294u | ||
CHEMBL1163477 | 215303 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
46897995 | 21135 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 0 | 2 | 5.4 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc3ccccc3c1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172223 | 21135 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 0 | 2 | 5.4 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc3ccccc3c1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200155 | 21135 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 0 | 2 | 5.4 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc3ccccc3c1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
145966260 | 171165 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213101 | 171165 | 0 | None | -2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24955192 | 20834 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197496 | 20834 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574305 | 20834 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
49799291 | 21169 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 0 | 4 | 3.9 | COc1cccc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173400 | 21169 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 0 | 4 | 3.9 | COc1cccc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200284 | 21169 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 0 | 4 | 3.9 | COc1cccc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
162653594 | 187317 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1095 | 31 | 15 | 14 | -0.7 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4753729 | 187317 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1095 | 31 | 15 | 14 | -0.7 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
49799368 | 21147 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172764 | 21147 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200219 | 21147 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
15983449 | 92429 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 374 | 9 | 1 | 3 | 4.1 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228461 | 92429 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 374 | 9 | 1 | 3 | 4.1 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
10213684 | 10707 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0111043 | ||||
2152 | 10707 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0111043 | ||||
CHEMBL414256 | 10707 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0111043 | ||||
CHEMBL2372907 | 217090 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
145977587 | 170465 | 0 | None | 14 | 2 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | 14 | 2 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL2372902 | 217086 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL1627325 | 215590 | 0 | None | -102 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O | 10.1021/jm900604g | ||||
162657061 | 187679 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4757669 | 187679 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL216349 | 216105 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1)C(=O)O | 10.1021/jm0111043 | ||||
CHEMBL3104471 | 217842 | 7 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||||
10996495 | 186691 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 845 | 11 | 10 | 11 | 0.7 | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4746051 | 186691 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 845 | 11 | 10 | 11 | 0.7 | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL385962 | 219149 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
162649156 | 186607 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1045 | 17 | 13 | 14 | -0.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4745061 | 186607 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1045 | 17 | 13 | 14 | -0.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
2151 | 7032 | 9 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm049110x | ||
9797568 | 7032 | 9 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm049110x | ||
CHEMBL192359 | 7032 | 9 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm049110x | ||
24952707 | 20816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197438 | 20816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572391 | 20816 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
15983691 | 92595 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 3.2 | Cc1ccc(C(CCN(C)C)NC(=O)C#Cc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229659 | 92595 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 3.2 | Cc1ccc(C(CCN(C)C)NC(=O)C#Cc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL1163475 | 215302 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
145973104 | 171508 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4217514 | 171508 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
45481596 | 20849 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 406 | 8 | 1 | 2 | 5.8 | CN(C)CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197565 | 20849 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 406 | 8 | 1 | 2 | 5.8 | CN(C)CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL576746 | 20849 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 406 | 8 | 1 | 2 | 5.8 | CN(C)CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
11696838 | 83931 | 1 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL207823 | 83931 | 1 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573857 | 83931 | 1 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
145966260 | 171165 | 0 | None | 2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213101 | 171165 | 0 | None | 2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
162659637 | 188072 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1058 | 30 | 14 | 13 | -0.0 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4762272 | 188072 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1058 | 30 | 14 | 13 | -0.0 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
162644289 | 188570 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 977 | 25 | 14 | 13 | -1.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4777923 | 188570 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 977 | 25 | 14 | 13 | -1.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
145973990 | 171464 | 0 | None | -181 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | -181 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24953056 | 20844 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197533 | 20844 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL575629 | 20844 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.1 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(C)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
145965592 | 171195 | 0 | None | -33 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213538 | 171195 | 0 | None | -33 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24953060 | 20819 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197441 | 20819 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572423 | 20819 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145977587 | 170465 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | -14 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145967082 | 170880 | 0 | None | -416 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | -416 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145978068 | 170515 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4205274 | 170515 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24952352 | 20830 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197480 | 20830 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573575 | 20830 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1163479 | 215304 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | ||||
15983818 | 92620 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.6 | CN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229710 | 92620 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.6 | CN(C)CCC(NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
145973990 | 171464 | 0 | None | -181 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | -181 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
15983826 | 92622 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 388 | 8 | 1 | 3 | 4.7 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229714 | 92622 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 388 | 8 | 1 | 3 | 4.7 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc3ccccc3c2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
24953414 | 20832 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 330 | 7 | 1 | 2 | 4.2 | CN(C)CCCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197484 | 20832 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 330 | 7 | 1 | 2 | 4.2 | CN(C)CCCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573836 | 20832 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 330 | 7 | 1 | 2 | 4.2 | CN(C)CCCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
49799486 | 21175 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 4.0 | C[N+](C)(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173689 | 21175 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 4.0 | C[N+](C)(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200298 | 21175 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 4.0 | C[N+](C)(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
15983560 | 92431 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 340 | 5 | 1 | 2 | 3.5 | CN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228471 | 92431 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 340 | 5 | 1 | 2 | 3.5 | CN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL593662 | 222592 | 9 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900604g | ||||
162651887 | 187050 | 0 | None | 112 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4750625 | 187050 | 0 | None | 112 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
162645261 | 186464 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1091 | 18 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4743591 | 186464 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1091 | 18 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
10474282 | 75887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 369 | 7 | 0 | 3 | 5.1 | CCN(CC)CCC1C(c2ccccc2)=NN(C)C1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
CHEMBL192389 | 75887 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 369 | 7 | 0 | 3 | 5.1 | CCN(CC)CCC1C(c2ccccc2)=NN(C)C1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
49798794 | 21106 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 6 | 0 | 3 | 4.5 | C=CCN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1170888 | 21106 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 6 | 0 | 3 | 4.5 | C=CCN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200021 | 21106 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 6 | 0 | 3 | 4.5 | C=CCN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
15983562 | 92432 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 7 | 1 | 2 | 3.3 | Cc1ccc(C(CCN(C)C)NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228472 | 92432 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 310 | 7 | 1 | 2 | 3.3 | Cc1ccc(C(CCN(C)C)NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
16126405 | 143956 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 7 | 1 | 2 | 4.2 | CN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL374817 | 143956 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 7 | 1 | 2 | 4.2 | CN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
24953410 | 20820 | 5 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197442 | 20820 | 5 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572439 | 20820 | 5 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
24952350 | 20865 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197698 | 20865 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL582835 | 20865 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
15983688 | 92690 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 7 | 1 | 2 | 4.8 | Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229923 | 92690 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 7 | 1 | 2 | 4.8 | Cc1ccc(C(CCN(C)C)NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
45481598 | 20831 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197481 | 20831 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573640 | 20831 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 442 | 7 | 1 | 2 | 6.6 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
16126557 | 92630 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 356 | 5 | 1 | 2 | 4.0 | CN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229764 | 92630 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 356 | 5 | 1 | 2 | 4.0 | CN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
15983568 | 144862 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 8 | 1 | 2 | 3.7 | Cc1ccc(C(CCN(C)C)NC(=O)CCc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL376581 | 144862 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 8 | 1 | 2 | 3.7 | Cc1ccc(C(CCN(C)C)NC(=O)CCc2ccccc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
145965592 | 171195 | 0 | None | -33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213538 | 171195 | 0 | None | -33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145973104 | 171508 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4217514 | 171508 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL437430 | 220497 | 0 | None | 3 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL452403 | 220760 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
145973990 | 171464 | 0 | None | 181 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | 181 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL2372901 | 217085 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
162666856 | 189253 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 909 | 25 | 13 | 11 | -0.9 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4786585 | 189253 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 909 | 25 | 13 | 11 | -0.9 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
10340786 | 78091 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 397 | 7 | 1 | 2 | 5.2 | CCN(CC)CCC1=C(c2ccccc2)NC(=O)N(C)C1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
CHEMBL195746 | 78091 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 397 | 7 | 1 | 2 | 5.2 | CCN(CC)CCC1=C(c2ccccc2)NC(=O)N(C)C1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
46897993 | 21161 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 315 | 4 | 0 | 2 | 4.3 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2CO1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173172 | 21161 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 315 | 4 | 0 | 2 | 4.3 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2CO1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200261 | 21161 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 315 | 4 | 0 | 2 | 4.3 | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccccc2CO1 | 10.1016/j.bmc.2010.04.041 | ||
44409548 | 84104 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL208362 | 84104 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573837 | 84104 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
46897999 | 21126 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 391 | 4 | 0 | 3 | 5.2 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1171808 | 21126 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 391 | 4 | 0 | 3 | 5.2 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200120 | 21126 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 391 | 4 | 0 | 3 | 5.2 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmc.2010.04.041 | ||
15983558 | 148811 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 372 | 8 | 1 | 3 | 4.2 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL387661 | 148811 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 372 | 8 | 1 | 3 | 4.2 | COc1ccc(/C=C/C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
24953412 | 20856 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197628 | 20856 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL578853 | 20856 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 1 | 2 | 7.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
49799329 | 21160 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 383 | 6 | 0 | 5 | 3.9 | COc1cc(OC)cc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173171 | 21160 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 383 | 6 | 0 | 5 | 3.9 | COc1cc(OC)cc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200260 | 21160 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 383 | 6 | 0 | 5 | 3.9 | COc1cc(OC)cc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL412753 | 219802 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O | 10.1021/jm0111043 | ||||
145977587 | 170465 | 0 | None | -14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | -14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
24953058 | 20846 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197539 | 20846 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL575819 | 20846 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 7 | 1 | 2 | 5.9 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1 | 10.1016/j.bmc.2009.04.062 | ||
15983684 | 92689 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 354 | 9 | 1 | 3 | 3.7 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229922 | 92689 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 354 | 9 | 1 | 3 | 3.7 | COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
24952349 | 20828 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197478 | 20828 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573570 | 20828 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24952351 | 20838 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197508 | 20838 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574730 | 20838 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
15983695 | 151395 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 7 | 1 | 2 | 5.2 | CN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL390792 | 151395 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 7 | 1 | 2 | 5.2 | CN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
15983824 | 148814 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 358 | 7 | 1 | 2 | 4.7 | CN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL387694 | 148814 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 358 | 7 | 1 | 2 | 4.7 | CN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
15983566 | 92442 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 340 | 8 | 1 | 3 | 3.4 | COc1ccc(CC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228526 | 92442 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 340 | 8 | 1 | 3 | 3.4 | COc1ccc(CC(=O)NC(CCN(C)C)c2ccc(C)cc2)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL501794 | 220924 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
CHEMBL1165764 | 215308 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | ||||
145967082 | 170880 | 0 | None | 416 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | 416 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL3104471 | 217842 | 7 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||||
CHEMBL607809 | 222611 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
162666100 | 189048 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4783820 | 189048 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
145977223 | 170769 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
15983816 | 92619 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 8 | 1 | 2 | 4.6 | CN(C)CCC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL229709 | 92619 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 8 | 1 | 2 | 4.6 | CN(C)CCC(NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 | 10.1016/j.ejmech.2006.09.015 | ||
145973990 | 171464 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4216988 | 171464 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
44400855 | 142063 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 448 | 7 | 0 | 3 | 7.7 | CCN(CC)CCC1C(c2ccccc2)=Nc2ccccc2SC1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
CHEMBL372689 | 142063 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 448 | 7 | 0 | 3 | 7.7 | CCN(CC)CCC1C(c2ccccc2)=Nc2ccccc2SC1c1ccc(Cl)cc1 | 10.1021/jm049110x | ||
45482441 | 20829 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197479 | 20829 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573574 | 20829 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 438 | 8 | 1 | 3 | 5.9 | COc1ccc(-c2cccc(C(=O)NC(CCN(C)C)c3ccc4ccccc4c3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24952709 | 20839 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197509 | 20839 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574731 | 20839 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 7 | 1 | 2 | 5.7 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24953413 | 20850 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 356 | 6 | 1 | 2 | 4.7 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197568 | 20850 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 356 | 6 | 1 | 2 | 4.7 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL576922 | 20850 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 356 | 6 | 1 | 2 | 4.7 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
162658232 | 187767 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 923 | 26 | 13 | 11 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4758767 | 187767 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 923 | 26 | 13 | 11 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
45481583 | 20822 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 432 | 7 | 1 | 2 | 6.4 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197444 | 20822 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 432 | 7 | 1 | 2 | 6.4 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572467 | 20822 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 432 | 7 | 1 | 2 | 6.4 | O=C(NC(CCN1CCCCC1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
145967082 | 170880 | 0 | None | -416 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4209654 | 170880 | 0 | None | -416 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
49799366 | 21146 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 4 | 0 | 3 | 4.6 | CN(C)CCC1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172763 | 21146 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 4 | 0 | 3 | 4.6 | CN(C)CCC1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200218 | 21146 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 4 | 0 | 3 | 4.6 | CN(C)CCC1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
46897994 | 21171 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 343 | 4 | 0 | 2 | 4.9 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173492 | 21171 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 343 | 4 | 0 | 2 | 4.9 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200286 | 21171 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 343 | 4 | 0 | 2 | 4.9 | Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2 | 10.1016/j.bmc.2010.04.041 | ||
145978068 | 170515 | 0 | None | -1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4205274 | 170515 | 0 | None | -1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
145977223 | 170769 | 0 | None | 1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4208184 | 170769 | 0 | None | 1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL508811 | 221919 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
49799023 | 21154 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 0 | 4 | 5.1 | C=CCN(CC=C)c1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173081 | 21154 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 0 | 4 | 5.1 | C=CCN(CC=C)c1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200246 | 21154 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 0 | 4 | 5.1 | C=CCN(CC=C)c1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
24952706 | 20827 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197477 | 20827 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL573569 | 20827 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 8 | 1 | 3 | 5.4 | COc1ccc(-c2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
162660720 | 187965 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 908 | 24 | 12 | 11 | 0.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4761055 | 187965 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 908 | 24 | 12 | 11 | 0.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
24955189 | 20821 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197443 | 20821 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572454 | 20821 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 4.3 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL608097 | 222614 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
24952353 | 20823 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197454 | 20823 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572882 | 20823 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 1 | 2 | 6.1 | CN(C)CCC(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.04.062 | ||
145966260 | 171165 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4213101 | 171165 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
11663047 | 8428 | 20 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1016/j.bmc.2009.04.062 | ||
3501 | 8428 | 20 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL204989 | 8428 | 20 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1016/j.bmc.2009.04.062 | ||
162656670 | 187697 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 953 | 25 | 12 | 13 | 0.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4757895 | 187697 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 953 | 25 | 12 | 13 | 0.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL593612 | 222591 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/j.bmc.2009.07.058 | ||||
24952708 | 20817 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197439 | 20817 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL572392 | 20817 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 372 | 7 | 1 | 2 | 5.1 | Cc1ccc(C(CCN(C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24953057 | 20845 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 422 | 7 | 1 | 2 | 6.2 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL1197534 | 20845 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 422 | 7 | 1 | 2 | 6.2 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL575630 | 20845 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 422 | 7 | 1 | 2 | 6.2 | Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1 | 10.1016/j.bmc.2009.04.062 | ||
24955187 | 83493 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL206552 | 83493 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
CHEMBL574304 | 83493 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmc.2009.04.062 | ||
15983441 | 92420 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 398 | 7 | 1 | 2 | 4.7 | CN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
CHEMBL228411 | 92420 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 398 | 7 | 1 | 2 | 4.7 | CN(C)CCC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2006.09.015 | ||
145977587 | 170465 | 0 | None | -14 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL4204786 | 170465 | 0 | None | -14 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||
CHEMBL509604 | 222355 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | ||||
162668785 | 189477 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1071 | 31 | 14 | 13 | -0.3 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4789420 | 189477 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1071 | 31 | 14 | 13 | -0.3 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL3104471 | 217842 | 7 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | ||||
162662050 | 188626 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 881 | 24 | 13 | 11 | -1.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
CHEMBL4778562 | 188626 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 881 | 24 | 13 | 11 | -1.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
49798989 | 21143 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1172605 | 21143 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200194 | 21143 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 3 | 4.0 | CN(C)CCC1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1 | 10.1016/j.bmc.2010.04.041 | ||
49799137 | 21180 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.9 | COc1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1173725 | 21180 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.9 | COc1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
CHEMBL1200304 | 21180 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 3.9 | COc1ccc2c(c1)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2=O | 10.1016/j.bmc.2010.04.041 | ||
25126427 | 8922 | 9 | None | 7 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
9437 | 8922 | 9 | None | 7 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
CHEMBL567713 | 8922 | 9 | None | 7 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
45487747 | 203663 | 0 | None | 501 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL566056 | 203663 | 0 | None | 501 | 2 | Rat | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
23728637 | 158501 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 625 | 8 | 1 | 7 | 4.2 | CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL396443 | 158501 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 625 | 8 | 1 | 7 | 4.2 | CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
142747296 | 178143 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 547 | 6 | 1 | 5 | 5.7 | O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4461733 | 178143 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 547 | 6 | 1 | 5 | 5.7 | O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
24804161 | 98524 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 624 | 8 | 1 | 6 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL240916 | 98524 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 624 | 8 | 1 | 6 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
10119117 | 95109 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 526 | 9 | 1 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348523 | 95109 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 526 | 9 | 1 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
23627613 | 203716 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 507 | 7 | 0 | 6 | 4.1 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566364 | 203716 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 507 | 7 | 0 | 6 | 4.1 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596967 | 203548 | 0 | None | 3 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565388 | 203548 | 0 | None | 3 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627666 | 203904 | 0 | None | 4 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567759 | 203904 | 0 | None | 4 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596966 | 204087 | 0 | None | 69 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568764 | 204087 | 0 | None | 69 | 2 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
142747294 | 177846 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4457118 | 177846 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
155543279 | 180074 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4525919 | 180074 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747247 | 180833 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4543925 | 180833 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
45486911 | 203960 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 628 | 10 | 1 | 8 | 5.8 | COc1ccc(C(CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568089 | 203960 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 628 | 10 | 1 | 8 | 5.8 | COc1ccc(C(CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
45486917 | 204213 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 620 | 12 | 1 | 8 | 4.3 | COc1ccc([C@@H](CCCNS(C)(=O)=O)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL569689 | 204213 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 620 | 12 | 1 | 8 | 4.3 | COc1ccc([C@@H](CCCNS(C)(=O)=O)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71717140 | 95103 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1cccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)c1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348517 | 95103 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1cccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)c1 | 10.1016/j.bmcl.2013.01.105 | ||
142747243 | 181514 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4560366 | 181514 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747265 | 182392 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 8 | 1 | 6 | 5.1 | CCOc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4580364 | 182392 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 8 | 1 | 6 | 5.1 | CCOc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
44596867 | 203749 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 674 | 12 | 1 | 9 | 5.4 | COc1ccc(C(CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566565 | 203749 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 674 | 12 | 1 | 9 | 5.4 | COc1ccc(C(CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
45486909 | 203924 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 614 | 9 | 1 | 8 | 5.4 | COc1ccc(C(CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567866 | 203924 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 614 | 9 | 1 | 8 | 5.4 | COc1ccc(C(CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71580034 | 95110 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348524 | 95110 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
25127070 | 205339 | 0 | None | -93 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578204 | 205339 | 0 | None | -93 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
24803165 | 95569 | 0 | None | - | 1 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 497 | 8 | 0 | 4 | 4.1 | CN(CCc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL236396 | 95569 | 0 | None | - | 1 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 497 | 8 | 0 | 4 | 4.1 | CN(CCc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
142747268 | 178381 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4465326 | 178381 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
25127070 | 205339 | 0 | None | 93 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578204 | 205339 | 0 | None | 93 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
155552384 | 180922 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4546405 | 180922 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | ||
142747256 | 182455 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 5.5 | CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4581735 | 182455 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 5.5 | CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
23627556 | 205256 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL577518 | 205256 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596965 | 203617 | 0 | None | -6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565806 | 203617 | 0 | None | -6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25124736 | 205340 | 0 | None | -8 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL578205 | 205340 | 0 | None | -8 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
71579840 | 95097 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 442 | 9 | 1 | 5 | 4.7 | COc1cc(Br)c(CNc2ccc(Cl)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348510 | 95097 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 442 | 9 | 1 | 5 | 4.7 | COc1cc(Br)c(CNc2ccc(Cl)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
71579747 | 95093 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348506 | 95093 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
44597068 | 203549 | 0 | None | 15 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565395 | 203549 | 0 | None | 15 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44206680 | 203780 | 0 | None | - | 1 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL566894 | 203780 | 0 | None | - | 1 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm900683d | ||
21023902 | 10308 | 28 | None | 3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | ||
2165 | 10308 | 28 | None | 3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL522770 | 10308 | 28 | None | 3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | ||
44597069 | 204263 | 0 | None | 5 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL569923 | 204263 | 0 | None | 5 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
25126424 | 203801 | 0 | None | -19 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL567075 | 203801 | 0 | None | -19 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
71716535 | 95104 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348518 | 95104 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
71579748 | 95094 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348507 | 95094 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
142747285 | 180926 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.0 | Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4546510 | 180926 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.0 | Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
23627554 | 203683 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 7 | 0 | 6 | 3.8 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566187 | 203683 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 7 | 0 | 6 | 3.8 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627555 | 204536 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL571683 | 204536 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596964 | 203730 | 0 | None | -31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL566433 | 203730 | 0 | None | -31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
16656749 | 203901 | 0 | None | -43 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567736 | 203901 | 0 | None | -43 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596870 | 203943 | 0 | None | 13 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567949 | 203943 | 0 | None | 13 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25128051 | 204471 | 0 | None | 21 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 11 | 0 | 8 | 4.3 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL571216 | 204471 | 0 | None | 21 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 11 | 0 | 8 | 4.3 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
25124736 | 205340 | 0 | None | 8 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL578205 | 205340 | 0 | None | 8 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
142747253 | 177882 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 539 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1OC | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4457752 | 177882 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 539 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1OC | 10.1016/j.bmcl.2018.12.058 | ||
10173280 | 9769 | 51 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | ||
3516 | 9769 | 51 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | ||
CHEMBL567303 | 9769 | 51 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | ||
2164 | 10299 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | ||
9846574 | 10299 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | ||
CHEMBL366221 | 10299 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | ||
45486918 | 204027 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 722 | 13 | 1 | 9 | 6.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(Cl)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568388 | 204027 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 722 | 13 | 1 | 9 | 6.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(Cl)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627492 | 203636 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 8 | 0 | 6 | 5.3 | CCC(c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O | 10.1021/jm900683d | ||
CHEMBL565937 | 203636 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 8 | 0 | 6 | 5.3 | CCC(c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O | 10.1021/jm900683d | ||
71717139 | 95100 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 5 | 1 | 3 | 5.2 | CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348514 | 95100 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 5 | 1 | 3 | 5.2 | CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
24803990 | 98570 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 525 | 8 | 2 | 6 | 2.6 | O=C(NCCN1CCNCC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL241128 | 98570 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 525 | 8 | 2 | 6 | 2.6 | O=C(NCCN1CCNCC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
23627612 | 204591 | 0 | None | -22 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL572138 | 204591 | 0 | None | -22 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71719581 | 95098 | 0 | None | 19 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348511 | 95098 | 0 | None | 19 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
25127071 | 205338 | 0 | None | 251 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578203 | 205338 | 0 | None | 251 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
44596965 | 203617 | 0 | None | 6 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565806 | 203617 | 0 | None | 6 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627305 | 204212 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 642 | 11 | 1 | 8 | 6.2 | COc1ccc(C(CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL569688 | 204212 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 642 | 11 | 1 | 8 | 6.2 | COc1ccc(C(CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627251 | 205698 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 542 | 10 | 1 | 7 | 4.7 | COc1ccc(C(CCCN)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL584545 | 205698 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 542 | 10 | 1 | 7 | 4.7 | COc1ccc(C(CCCN)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71579743 | 95089 | 0 | None | -43 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348502 | 95089 | 0 | None | -43 | 3 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
71720175 | 95107 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 356 | 5 | 1 | 4 | 4.5 | CN1CC[C@H](Oc2cc(NCc3cccs3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348521 | 95107 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 356 | 5 | 1 | 4 | 4.5 | CN1CC[C@H](Oc2cc(NCc3cccs3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
24804323 | 97595 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 643 | 9 | 2 | 5 | 5.3 | O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL239199 | 97595 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 643 | 9 | 2 | 5 | 5.3 | O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
44597068 | 203549 | 0 | None | -15 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565395 | 203549 | 0 | None | -15 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596870 | 203943 | 0 | None | -13 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567949 | 203943 | 0 | None | -13 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
45487731 | 205342 | 0 | None | 2 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL578207 | 205342 | 0 | None | 2 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
142747289 | 177370 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 4.7 | O=C(c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4450638 | 177370 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 4.7 | O=C(c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747303 | 178165 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 547 | 6 | 1 | 5 | 6.0 | O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4462068 | 178165 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 547 | 6 | 1 | 5 | 6.0 | O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
23627722 | 203983 | 0 | None | -8 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568165 | 203983 | 0 | None | -8 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
24803168 | 96667 | 0 | None | - | 1 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 407 | 5 | 0 | 4 | 2.5 | CN(C)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL237877 | 96667 | 0 | None | - | 1 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 407 | 5 | 0 | 4 | 2.5 | CN(C)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
23627249 | 204013 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568316 | 204013 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
24804816 | 153171 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 576 | 7 | 1 | 6 | 4.7 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL392166 | 153171 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 576 | 7 | 1 | 6 | 4.7 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
142747251 | 179270 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)cc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4483058 | 179270 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)cc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747252 | 180229 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)ccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4529337 | 180229 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)ccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
44597398 | 203577 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565580 | 203577 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
155512483 | 176444 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4437489 | 176444 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | ||
23627722 | 203983 | 0 | None | 8 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568165 | 203983 | 0 | None | 8 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25125422 | 204066 | 0 | None | 17 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568637 | 204066 | 0 | None | 17 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
16656749 | 203901 | 0 | None | 43 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567736 | 203901 | 0 | None | 43 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
45486908 | 203671 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 514 | 8 | 1 | 7 | 3.9 | COc1ccc(C(CN)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566144 | 203671 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 514 | 8 | 1 | 7 | 3.9 | COc1ccc(C(CN)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71718372 | 95102 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1ccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348516 | 95102 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1ccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1 | 10.1016/j.bmcl.2013.01.105 | ||
142747255 | 178220 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 5.3 | CCc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4463082 | 178220 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 5.3 | CCc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
10173280 | 9769 | 51 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | ||
3516 | 9769 | 51 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | ||
CHEMBL567303 | 9769 | 51 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | ||
44597071 | 205341 | 0 | None | -52 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578206 | 205341 | 0 | None | -52 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
142747273 | 178856 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 6 | 1 | 5 | 5.1 | O=C(c1ccc(-c2cc(F)c(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4472265 | 178856 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 6 | 1 | 5 | 5.1 | O=C(c1ccc(-c2cc(F)c(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
24804324 | 96669 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 608 | 8 | 1 | 5 | 5.4 | CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL237879 | 96669 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 608 | 8 | 1 | 5 | 5.4 | CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
21023902 | 10308 | 28 | None | -3 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
2165 | 10308 | 28 | None | -3 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
CHEMBL522770 | 10308 | 28 | None | -3 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
25128051 | 204471 | 0 | None | -21 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 598 | 11 | 0 | 8 | 4.3 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL571216 | 204471 | 0 | None | -21 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 598 | 11 | 0 | 8 | 4.3 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
71580134 | 95114 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348528 | 95114 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
44596967 | 203548 | 0 | None | -3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565388 | 203548 | 0 | None | -3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
142747298 | 180034 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4524693 | 180034 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
44597070 | 203552 | 0 | None | 10 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565416 | 203552 | 0 | None | 10 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | ||
10173280 | 9769 | 51 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1016/j.bmcl.2013.01.105 | ||
3516 | 9769 | 51 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL567303 | 9769 | 51 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1016/j.bmcl.2013.01.105 | ||
71719581 | 95098 | 0 | None | -19 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348511 | 95098 | 0 | None | -19 | 3 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
24893978 | 7797 | 9 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
8872 | 7797 | 9 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
CHEMBL495075 | 7797 | 9 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | ||
25127072 | 204517 | 0 | None | 128 | 2 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL571537 | 204517 | 0 | None | 128 | 2 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
45487748 | 204529 | 0 | None | 15 | 2 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL571625 | 204529 | 0 | None | 15 | 2 | Rat | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
44596964 | 203730 | 0 | None | 31 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL566433 | 203730 | 0 | None | 31 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
44596869 | 203717 | 0 | None | 12 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566366 | 203717 | 0 | None | 12 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
24804326 | 152128 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 644 | 9 | 1 | 6 | 5.7 | O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL391354 | 152128 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 644 | 9 | 1 | 6 | 5.7 | O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
44597070 | 203552 | 0 | None | -10 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565416 | 203552 | 0 | None | -10 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | ||
11272107 | 95088 | 42 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 504 | 7 | 1 | 6 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348501 | 95088 | 42 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 504 | 7 | 1 | 6 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
24803167 | 96668 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 7 | 1 | 4 | 3.8 | O=C1COc2ccccc2N1CCN1CCC(C(=O)NCc2ccccc2)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL237878 | 96668 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 469 | 7 | 1 | 4 | 3.8 | O=C1COc2ccccc2N1CCN1CCC(C(=O)NCc2ccccc2)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
23627430 | 203672 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566145 | 203672 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
23627666 | 203904 | 0 | None | -4 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL567759 | 203904 | 0 | None | -4 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
142747254 | 177285 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2cccc(-c3ccccc3)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4449461 | 177285 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2cccc(-c3ccccc3)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
71579743 | 95089 | 0 | None | -102 | 3 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348502 | 95089 | 0 | None | -102 | 3 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
142747238 | 182313 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4578409 | 182313 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
45487747 | 203663 | 0 | None | -501 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL566056 | 203663 | 0 | None | -501 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
44596869 | 203717 | 0 | None | -12 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566366 | 203717 | 0 | None | -12 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25127071 | 205338 | 0 | None | -251 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578203 | 205338 | 0 | None | -251 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
25067560 | 194750 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL497171 | 194750 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
45487731 | 205342 | 0 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL578207 | 205342 | 0 | None | -2 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
25127072 | 204517 | 0 | None | -128 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL571537 | 204517 | 0 | None | -128 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
24804325 | 152132 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 614 | 8 | 1 | 5 | 5.2 | O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL391355 | 152132 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 614 | 8 | 1 | 5 | 5.2 | O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
44435044 | 97659 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 664 | 10 | 1 | 6 | 4.9 | O=C(NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL239250 | 97659 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 664 | 10 | 1 | 6 | 4.9 | O=C(NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
25125422 | 204066 | 0 | None | -17 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568637 | 204066 | 0 | None | -17 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
71718978 | 95106 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 1 | 6 | 4.4 | COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)c(O[C@H]2CCN(C)C2)c1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348520 | 95106 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 1 | 6 | 4.4 | COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)c(O[C@H]2CCN(C)C2)c1 | 10.1016/j.bmcl.2013.01.105 | ||
71580033 | 95111 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348525 | 95111 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
25125764 | 203970 | 0 | None | -9 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL568123 | 203970 | 0 | None | -9 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
25125764 | 203970 | 0 | None | 9 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL568123 | 203970 | 0 | None | 9 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
44597071 | 205341 | 0 | None | 52 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL578206 | 205341 | 0 | None | 52 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | ||
71579743 | 95089 | 0 | None | 43 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348502 | 95089 | 0 | None | 43 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
24804491 | 96729 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 610 | 7 | 1 | 6 | 5.3 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL238066 | 96729 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 610 | 7 | 1 | 6 | 5.3 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
71719582 | 95108 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 390 | 5 | 1 | 4 | 5.1 | CN1CC[C@H](Oc2cc(NCc3ccc(Cl)s3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348522 | 95108 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 390 | 5 | 1 | 4 | 5.1 | CN1CC[C@H](Oc2cc(NCc3ccc(Cl)s3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
71579843 | 95099 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | CN(C)CCOc1cc(NCc2ccccc2Br)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348513 | 95099 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | CN(C)CCOc1cc(NCc2ccccc2Br)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | ||
45487748 | 204529 | 0 | None | -15 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL571625 | 204529 | 0 | None | -15 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
10120078 | 74416 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | ||
CHEMBL190533 | 74416 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | ||
44448692 | 101673 | 2 | None | -208 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 3.9 | CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | ||
CHEMBL254154 | 101673 | 2 | None | -208 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 383 | 5 | 0 | 3 | 3.9 | CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | ||
71719581 | 95098 | 0 | None | -31 | 3 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348511 | 95098 | 0 | None | -31 | 3 | Mouse | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
45486916 | 204022 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 656 | 12 | 1 | 8 | 6.6 | COc1ccc([C@@H](CCCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568358 | 204022 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 656 | 12 | 1 | 8 | 6.6 | COc1ccc([C@@H](CCCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44597398 | 203577 | 0 | None | 3 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL565580 | 203577 | 0 | None | 3 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25126424 | 203801 | 0 | None | 19 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL567075 | 203801 | 0 | None | 19 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
25125075 | 204516 | 0 | None | 12 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 612 | 12 | 0 | 8 | 4.7 | CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL571535 | 204516 | 0 | None | 12 | 2 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 612 | 12 | 0 | 8 | 4.7 | CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
142747291 | 176679 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4440805 | 176679 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747279 | 181287 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4555094 | 181287 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
23627557 | 203723 | 0 | None | - | 1 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc(C(C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL566389 | 203723 | 0 | None | - | 1 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc(C(C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
24802993 | 96025 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 441 | 5 | 0 | 4 | 3.2 | CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL236800 | 96025 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 441 | 5 | 0 | 4 | 3.2 | CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
71579744 | 95090 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348503 | 95090 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | ||
45486910 | 204155 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 660 | 11 | 1 | 9 | 5.0 | COc1ccc(C(CNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL569238 | 204155 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 660 | 11 | 1 | 9 | 5.0 | COc1ccc(C(CNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44596966 | 204087 | 0 | None | -69 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568764 | 204087 | 0 | None | -69 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
71579935 | 95101 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348515 | 95101 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | ||
25126427 | 8922 | 9 | None | -7 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
9437 | 8922 | 9 | None | -7 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
CHEMBL567713 | 8922 | 9 | None | -7 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | ||
21023902 | 10308 | 28 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
2165 | 10308 | 28 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
CHEMBL522770 | 10308 | 28 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | ||
142747275 | 176425 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4437224 | 176425 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | ||
142747242 | 177314 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4449808 | 177314 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747271 | 181744 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4565990 | 181744 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | ||
23627249 | 204013 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL568316 | 204013 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
44597069 | 204263 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL569923 | 204263 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
23627612 | 204591 | 0 | None | 22 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
CHEMBL572138 | 204591 | 0 | None | 22 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | ||
25125075 | 204516 | 0 | None | -12 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 612 | 12 | 0 | 8 | 4.7 | CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
CHEMBL571535 | 204516 | 0 | None | -12 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 612 | 12 | 0 | 8 | 4.7 | CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)S(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | ||
148470142 | 176456 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4437619 | 176456 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | ||
142747258 | 180593 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4538387 | 180593 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
142747281 | 182730 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cccc(F)c2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
CHEMBL4588098 | 182730 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cccc(F)c2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | ||
44435003 | 153143 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 511 | 9 | 0 | 4 | 4.5 | CN(CCCc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
CHEMBL392142 | 153143 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 511 | 9 | 0 | 4 | 4.5 | CN(CCCc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | ||
71720174 | 95105 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3cc4c(cc3Br)OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
CHEMBL2348519 | 95105 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3cc4c(cc3Br)OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | ||
25067045 | 162287 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | ||
CHEMBL404177 | 162287 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | ||
CHEMBL387916 | 219192 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | ||||
25067560 | 194750 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL497171 | 194750 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
44580475 | 199999 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL523566 | 199999 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | ||
44580515 | 194797 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL497561 | 194797 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | ||
44580519 | 194663 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL496516 | 194663 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | ||
12704866 | 195117 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL500880 | 195117 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | ||
CHEMBL389653 | 219210 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | ||||
CHEMBL223905 | 216225 | 13 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | ||||
CHEMBL389654 | 219211 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | ||||
CHEMBL218698 | 216177 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | ||||
2164 | 10299 | 17 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | ||
9846574 | 10299 | 17 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | ||
CHEMBL366221 | 10299 | 17 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | ||
44206682 | 17250 | 0 | None | - | 0 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 449 | 5 | 0 | 5 | 4.7 | CCN1CCN(c2cccc3c2[C@H]2CCCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
CHEMBL1165145 | 17250 | 0 | None | - | 0 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 449 | 5 | 0 | 5 | 4.7 | CCN1CCN(c2cccc3c2[C@H]2CCCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
44206680 | 203780 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
CHEMBL566894 | 203780 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
44206680 | 203780 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
CHEMBL566894 | 203780 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | ||
46907359 | 17235 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 536 | 12 | 2 | 6 | 4.4 | CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1021/jm901294u | ||
CHEMBL1164523 | 17235 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 536 | 12 | 2 | 6 | 4.4 | CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1021/jm901294u | ||
11663047 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 17112638 | ||
11663047 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 19481466 | ||
3501 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 17112638 | ||
3501 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 19481466 | ||
CHEMBL204989 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 17112638 | ||
CHEMBL204989 | 8428 | 20 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 19481466 | ||
9441 | 10728 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 27791374 | ||||
9436 | 6891 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 12943190 | ||||
2163 | 10225 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 446 | 6 | 3 | 3 | 5.4 | NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2 | 11960491 | ||
9803617 | 10225 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 446 | 6 | 3 | 3 | 5.4 | NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2 | 11960491 | ||
CHEMBL93758 | 10225 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 446 | 6 | 3 | 3 | 5.4 | NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2 | 11960491 | ||
10173280 | 9769 | 51 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 15146030 | ||
3516 | 9769 | 51 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 15146030 | ||
CHEMBL567303 | 9769 | 51 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 15146030 | ||
10886 | 10435 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 549 | 10 | 2 | 5 | 6.2 | CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C | 32332113 | ||
66720777 | 10435 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 549 | 10 | 2 | 5 | 6.2 | CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C | 32332113 | ||
66720778 | 10435 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 549 | 10 | 2 | 5 | 6.2 | CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C | 32332113 | ||
11438 | 8268 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 623 | 9 | 0 | 7 | 2.1 | O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl | 30608334 | ||
46862051 | 8268 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 623 | 9 | 0 | 7 | 2.1 | O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl | 30608334 | ||
11995575 | 10733 | 0 | None | - | 1 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 14550283 | ||||
2156 | 10733 | 0 | None | - | 1 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 14550283 | ||||
CHEMBL437110 | 10733 | 0 | None | - | 1 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 14550283 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
CHEMBL3315148 | 218151 | 0 | None | - | 1 | Rat | 10.9 | pEC50 | = | 10.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315144 | 218147 | 0 | None | - | 1 | Rat | 10.7 | pEC50 | = | 10.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315139 | 218142 | 9 | None | - | 1 | Rat | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315152 | 218155 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315140 | 218143 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315146 | 218149 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3315150 | 218153 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
137628790 | 167775 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4068478 | 167775 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116168 | 167775 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177635 | 127985 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577311 | 127985 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177635 | 127985 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577311 | 127985 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
127051713 | 147806 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1125 | 19 | 12 | 15 | 0.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823939 | 147806 | 0 | None | - | 0 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1125 | 19 | 12 | 15 | 0.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
137630764 | 167883 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4077689 | 167883 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117037 | 167883 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137630919 | 167911 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4062799 | 167911 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117229 | 167911 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177633 | 127983 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577309 | 127983 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137629788 | 167959 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4099974 | 167959 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117629 | 167959 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
122177633 | 127983 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577309 | 127983 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137629655 | 167945 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629876 | 167971 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629789 | 167960 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4095707 | 167960 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117630 | 167960 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629655 | 167945 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
44409478 | 82712 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 344 | 7 | 1 | 2 | 4.3 | CCc1ccccc1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205157 | 82712 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 344 | 7 | 1 | 2 | 4.3 | CCc1ccccc1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
155519842 | 177154 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4447811 | 177154 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
15983315 | 84120 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 409 | 6 | 0 | 3 | 5.3 | Cc1cc(Br)ccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL208436 | 84120 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 409 | 6 | 0 | 3 | 5.3 | Cc1cc(Br)ccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11640431 | 148137 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 423 | 8 | 2 | 3 | 5.9 | CN(C)CCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL383698 | 148137 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 423 | 8 | 2 | 3 | 5.9 | CN(C)CCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
137629655 | 167945 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177625 | 127975 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577301 | 127975 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137631060 | 167934 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076985 | 167934 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117349 | 167934 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177625 | 127975 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577301 | 127975 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177627 | 127977 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577303 | 127977 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177627 | 127977 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577303 | 127977 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
2151 | 7032 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm051121i | |||
9797568 | 7032 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm051121i | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm051121i | |||
11626617 | 84135 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 362 | 7 | 1 | 4 | 4.6 | COc1cccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
CHEMBL208536 | 84135 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 362 | 7 | 1 | 4 | 4.6 | COc1cccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
15983313 | 105036 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 365 | 6 | 0 | 3 | 5.2 | Cc1c(Cl)cccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL274508 | 105036 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 365 | 6 | 0 | 3 | 5.2 | Cc1c(Cl)cccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983200 | 84133 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.8 | Cc1cccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
CHEMBL208512 | 84133 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.8 | Cc1cccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
CHEMBL3104463 | 217838 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11684574 | 172815 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 399 | 6 | 2 | 2 | 5.2 | CN(C)CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL425592 | 172815 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 399 | 6 | 2 | 2 | 5.2 | CN(C)CCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104463 | 217838 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
137631155 | 167981 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629655 | 167945 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629651 | 167940 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4084476 | 167940 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117427 | 167940 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177624 | 127974 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577300 | 127974 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177624 | 127974 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577300 | 127974 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3315149 | 218152 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
15983196 | 202375 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 345 | 7 | 0 | 3 | 4.8 | CCc1ccccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL555609 | 202375 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 345 | 7 | 0 | 3 | 4.8 | CCc1ccccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
137631008 | 167921 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4081970 | 167921 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117292 | 167921 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
127050201 | 147717 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1134 | 19 | 12 | 15 | 1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3822808 | 147717 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1134 | 19 | 12 | 15 | 1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
155544020 | 180094 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4526244 | 180094 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137629875 | 167970 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4074175 | 167970 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117691 | 167970 | 0 | None | - | 0 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
11325792 | 146945 | 9 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.5 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)cc1)C2 | 10.1021/jm051121i | |||
CHEMBL380346 | 146945 | 9 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.5 | Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)cc1)C2 | 10.1021/jm051121i | |||
11559579 | 81540 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 361 | 7 | 2 | 3 | 4.2 | COc1cccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
CHEMBL203106 | 81540 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 361 | 7 | 2 | 3 | 4.2 | COc1cccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
11631605 | 81830 | 1 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 1 | 3 | 3.8 | COc1ccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL203531 | 81830 | 1 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 346 | 7 | 1 | 3 | 3.8 | COc1ccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
11546868 | 82735 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 359 | 7 | 1 | 3 | 3.8 | CN(C)CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205254 | 82735 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 359 | 7 | 1 | 3 | 3.8 | CN(C)CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983325 | 145484 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 370 | 6 | 0 | 4 | 4.7 | CN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL377946 | 145484 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 370 | 6 | 0 | 4 | 4.7 | CN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
137631155 | 167981 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
11552098 | 81784 | 1 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 316 | 6 | 1 | 2 | 3.8 | CN(C)CCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203337 | 81784 | 1 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 316 | 6 | 1 | 2 | 3.8 | CN(C)CCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11625650 | 83539 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 407 | 7 | 2 | 2 | 5.8 | CN(C)CCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206811 | 83539 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 407 | 7 | 2 | 2 | 5.8 | CN(C)CCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
44409467 | 81530 | 2 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203080 | 81530 | 2 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL572699 | 81530 | 2 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
137629875 | 167970 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4074175 | 167970 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117691 | 167970 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 490 | 8 | 2 | 4 | 6.1 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
127049894 | 147739 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc3ccccc3c2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823122 | 147739 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc3ccccc3c2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
137628890 | 167753 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4064003 | 167753 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4115991 | 167753 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
44409534 | 82332 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 4 | 4.7 | CN(C)CCC(OC(=O)c1cn(C)c2ccccc12)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL204516 | 82332 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 4 | 4.7 | CN(C)CCC(OC(=O)c1cn(C)c2ccccc12)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11546571 | 82757 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1ccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c(C)c1 | 10.1021/jm051121i | |||
CHEMBL205430 | 82757 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1ccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c(C)c1 | 10.1021/jm051121i | |||
CHEMBL3104461 | 217836 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
137631155 | 167981 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137630919 | 167911 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4062799 | 167911 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117229 | 167911 | 0 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.3 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL3104461 | 217836 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11674961 | 147126 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 362 | 7 | 1 | 4 | 4.6 | COc1ccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL380745 | 147126 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 362 | 7 | 1 | 4 | 4.6 | COc1ccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
11508921 | 83949 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 331 | 6 | 0 | 3 | 4.5 | Cc1ccccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL207882 | 83949 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 331 | 6 | 0 | 3 | 4.5 | Cc1ccccc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11569119 | 83055 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 385 | 6 | 0 | 3 | 5.2 | CN(C)CCC(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205859 | 83055 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 385 | 6 | 0 | 3 | 5.2 | CN(C)CCC(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11566781 | 83402 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.7 | Cc1c(Cl)cccc1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206371 | 83402 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.7 | Cc1c(Cl)cccc1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
137631154 | 167980 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
11510666 | 147495 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 358 | 6 | 1 | 2 | 4.7 | Cc1cc(C)c(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1C | 10.1021/jm051121i | |||
CHEMBL381756 | 147495 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 358 | 6 | 1 | 2 | 4.7 | Cc1cc(C)c(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1C | 10.1021/jm051121i | |||
CHEMBL3315143 | 218146 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
121335724 | 165723 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4095859 | 165723 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b01525 | |||
155560750 | 181860 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568539 | 181860 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL3104460 | 217835 | 0 | None | - | 0 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11591072 | 145491 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.9 | CN(C)CCC(OC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL377973 | 145491 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.9 | CN(C)CCC(OC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983317 | 82249 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.8 | Cc1ccc(C)c(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
CHEMBL204227 | 82249 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.8 | Cc1ccc(C)c(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137629651 | 167940 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4084476 | 167940 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117427 | 167940 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 5.8 | NCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137641820 | 168005 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4087993 | 168005 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117996 | 168005 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
11531958 | 148076 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 6.4 | CN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL383326 | 148076 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 6.4 | CN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11524599 | 83502 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 330 | 7 | 1 | 2 | 3.7 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206596 | 83502 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 330 | 7 | 1 | 2 | 3.7 | CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983311 | 145668 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 7 | 0 | 4 | 4.5 | COc1cccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
CHEMBL378235 | 145668 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 7 | 0 | 4 | 4.5 | COc1cccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
137629876 | 167971 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
155532198 | 178519 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4467241 | 178519 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
2151 | 7032 | 9 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
9797568 | 7032 | 9 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
11532525 | 82828 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 7 | 2 | 3 | 4.2 | COc1ccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL205735 | 82828 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 361 | 7 | 2 | 3 | 4.2 | COc1ccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
11573773 | 147842 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 3.8 | CN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL382477 | 147842 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 3.8 | CN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
127052350 | 147776 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1097 | 18 | 13 | 15 | -0.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823569 | 147776 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1097 | 18 | 13 | 15 | -0.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
122177625 | 127975 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577301 | 127975 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3315147 | 218150 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
155537097 | 179035 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4474481 | 179035 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
122177625 | 127975 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577301 | 127975 | 0 | None | - | 0 | Rat | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3104465 | 217840 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11697064 | 83512 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 367 | 6 | 0 | 3 | 5.3 | CN(C)CCC(OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206661 | 83512 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 367 | 6 | 0 | 3 | 5.3 | CN(C)CCC(OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104465 | 217840 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
122177629 | 127979 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577305 | 127979 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177629 | 127979 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577305 | 127979 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3104464 | 217839 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11559558 | 82802 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.5 | CN(C)CCC(NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205628 | 82802 | 1 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.5 | CN(C)CCC(NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11495815 | 83503 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 346 | 7 | 1 | 3 | 4.3 | CN(C)CCC(OC(=O)NCc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206597 | 83503 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 346 | 7 | 1 | 3 | 4.3 | CN(C)CCC(OC(=O)NCc1ccccc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11595438 | 84436 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 347 | 7 | 0 | 4 | 4.2 | COc1ccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL208886 | 84436 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 347 | 7 | 0 | 4 | 4.2 | COc1ccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
137631155 | 167981 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL3104464 | 217839 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
155532198 | 178519 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4467241 | 178519 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137631154 | 167980 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
11681737 | 82753 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 345 | 6 | 2 | 2 | 4.5 | Cc1ccccc1NC(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205390 | 82753 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 345 | 6 | 2 | 2 | 4.5 | Cc1ccccc1NC(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983323 | 83522 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 6 | 0 | 3 | 5.3 | CN(C)CCC(OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206719 | 83522 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 6 | 0 | 3 | 5.3 | CN(C)CCC(OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
122177624 | 127974 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577300 | 127974 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177624 | 127974 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577300 | 127974 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 9 | 4 | 5 | 4.6 | NCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155537097 | 179035 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4474481 | 179035 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
121335724 | 165723 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4095859 | 165723 | 0 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL3104462 | 217837 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11526048 | 81475 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 5.6 | CN(C)CCC(OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203051 | 81475 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 5.6 | CN(C)CCC(OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104462 | 217837 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
2151 | 7032 | 9 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
9797568 | 7032 | 9 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
15983321 | 82308 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 337 | 6 | 0 | 4 | 4.6 | Cc1ccsc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL204368 | 82308 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 337 | 6 | 0 | 4 | 4.6 | Cc1ccsc1C(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104467 | 217841 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11627432 | 81828 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 408 | 7 | 1 | 3 | 6.2 | CN(C)CCC(OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203528 | 81828 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 408 | 7 | 1 | 3 | 6.2 | CN(C)CCC(OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11501947 | 82806 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 5.5 | CN(C)CCC(NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205681 | 82806 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 5.5 | CN(C)CCC(NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
15983198 | 148065 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 331 | 6 | 0 | 3 | 4.5 | Cc1ccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL383258 | 148065 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 331 | 6 | 0 | 3 | 4.5 | Cc1ccc(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
11648503 | 83492 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 381 | 6 | 2 | 2 | 5.3 | CN(C)CCC(NC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL206551 | 83492 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 381 | 6 | 2 | 2 | 5.3 | CN(C)CCC(NC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11609885 | 147813 | 1 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1ccc(C)c(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
CHEMBL382401 | 147813 | 1 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1ccc(C)c(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1 | 10.1021/jm051121i | |||
CHEMBL593662 | 222592 | 9 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
CHEMBL593662 | 222592 | 9 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
137630539 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4060368 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116751 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL593662 | 222592 | 9 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
137629890 | 167791 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4069649 | 167791 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116283 | 167791 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137631008 | 167921 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4081970 | 167921 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117292 | 167921 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 516 | 9 | 1 | 4 | 6.6 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137629876 | 167971 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137631154 | 167980 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
135747623 | 181844 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568153 | 181844 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137641820 | 168005 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4087993 | 168005 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117996 | 168005 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 6.6 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137630539 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4060368 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116751 | 167854 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
127048901 | 147726 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1058 | 18 | 12 | 15 | -0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3822950 | 147726 | 0 | None | - | 0 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 1058 | 18 | 12 | 15 | -0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
135747623 | 181844 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568153 | 181844 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137630689 | 167878 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4092221 | 167878 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116960 | 167878 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
122177631 | 127981 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577307 | 127981 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177631 | 127981 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577307 | 127981 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137628790 | 167775 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4068478 | 167775 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116168 | 167775 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 545 | 9 | 1 | 5 | 7.1 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137631060 | 167934 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076985 | 167934 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117349 | 167934 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.5 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629952 | 167800 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4103468 | 167800 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116345 | 167800 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137630764 | 167883 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4077689 | 167883 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117037 | 167883 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 478 | 8 | 2 | 4 | 5.7 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
127051713 | 147806 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1125 | 19 | 12 | 15 | 0.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823939 | 147806 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1125 | 19 | 12 | 15 | 0.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3315141 | 218144 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
137630124 | 167827 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4085539 | 167827 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116532 | 167827 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137629876 | 167971 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137630474 | 167848 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4065552 | 167848 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116679 | 167848 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
2151 | 7032 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
9797568 | 7032 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 10.1021/jm025551+ | |||
11696838 | 83931 | 1 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL207823 | 83931 | 1 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL573857 | 83931 | 1 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3315145 | 218148 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
11537255 | 81216 | 1 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 330 | 6 | 1 | 2 | 4.1 | Cc1ccccc1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL202725 | 81216 | 1 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 330 | 6 | 1 | 2 | 4.1 | Cc1ccccc1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11582902 | 82725 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
CHEMBL205201 | 82725 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 344 | 6 | 1 | 2 | 4.4 | Cc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
137629876 | 167971 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL3104460 | 217835 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11604535 | 82773 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 346 | 6 | 1 | 3 | 4.9 | Cc1ccccc1NC(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205488 | 82773 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 346 | 6 | 1 | 3 | 4.9 | Cc1ccccc1NC(=O)OC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
122177629 | 127979 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577305 | 127979 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137628942 | 167763 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4090653 | 167763 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116059 | 167763 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137630802 | 167890 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4087877 | 167890 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117095 | 167890 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137631155 | 167981 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137631061 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4096184 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117350 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137631061 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4096184 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117350 | 167935 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177630 | 127980 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577306 | 127980 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177630 | 127980 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577306 | 127980 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137629655 | 167945 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
155567837 | 182816 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4590360 | 182816 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137629789 | 167960 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4095707 | 167960 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117630 | 167960 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 504 | 9 | 2 | 4 | 6.2 | NCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177634 | 127984 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577310 | 127984 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177632 | 127982 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577308 | 127982 | 0 | None | - | 0 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177632 | 127982 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577308 | 127982 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155524087 | 177672 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4454498 | 177672 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
122177629 | 127979 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577305 | 127979 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137628889 | 167752 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4070119 | 167752 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4115990 | 167752 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
127048901 | 147726 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1058 | 18 | 12 | 15 | -0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3822950 | 147726 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1058 | 18 | 12 | 15 | -0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
122177631 | 127981 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577307 | 127981 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177631 | 127981 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577307 | 127981 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155536007 | 178905 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4472928 | 178905 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137628942 | 167763 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4090653 | 167763 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116059 | 167763 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 559 | 10 | 1 | 5 | 7.4 | CNCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177636 | 127986 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577312 | 127986 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3104644 | 217848 | 0 | None | - | 0 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104644 | 217848 | 0 | None | - | 0 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
44409477 | 83922 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 4.9 | CN(C)CC[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL207783 | 83922 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 4.9 | CN(C)CC[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11496131 | 147117 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 360 | 7 | 1 | 3 | 4.1 | COc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
CHEMBL380704 | 147117 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 360 | 7 | 1 | 3 | 4.1 | COc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C | 10.1021/jm051121i | |||
15983319 | 83547 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 359 | 6 | 0 | 3 | 5.1 | Cc1cc(C)c(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1C | 10.1021/jm051121i | |||
CHEMBL206832 | 83547 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 359 | 6 | 0 | 3 | 5.1 | Cc1cc(C)c(C(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1C | 10.1021/jm051121i | |||
122177636 | 127986 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577312 | 127986 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3315142 | 218145 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
137629655 | 167945 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4066696 | 167945 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117503 | 167945 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 492 | 9 | 2 | 4 | 6.1 | NCCCCN1N=C(CCc2ccc(O)cc2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629952 | 167800 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4103468 | 167800 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116345 | 167800 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137630124 | 167827 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4085539 | 167827 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116532 | 167827 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 506 | 10 | 1 | 4 | 6.4 | COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137629788 | 167959 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4099974 | 167959 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117629 | 167959 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.1 | COc1ccc(/C=C/C2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137629877 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4077479 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117693 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
127051389 | 147771 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823484 | 147771 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
155529504 | 178211 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4462940 | 178211 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
155524087 | 177672 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4454498 | 177672 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
137629877 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4077479 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117693 | 167972 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 533 | 9 | 1 | 5 | 7.0 | NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177628 | 127978 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577304 | 127978 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177628 | 127978 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577304 | 127978 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155537736 | 179125 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4475783 | 179125 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
122177632 | 127982 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577308 | 127982 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177632 | 127982 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577308 | 127982 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 498 | 8 | 5 | 5 | 3.9 | NCCC[C@@H]1N[C@H](c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155537736 | 179125 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4475783 | 179125 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
137628889 | 167752 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4070119 | 167752 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4115990 | 167752 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
44409548 | 84104 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL208362 | 84104 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL573837 | 84104 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL3104639 | 217845 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
11525327 | 147875 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.7 | Cc1cccc(Cl)c1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL382688 | 147875 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.7 | Cc1cccc(Cl)c1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11653844 | 82169 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 5.7 | CN(C)CCC(OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203937 | 82169 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 5.7 | CN(C)CCC(OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
11524788 | 83289 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 393 | 7 | 0 | 3 | 5.9 | CN(C)CCC(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL205991 | 83289 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 393 | 7 | 0 | 3 | 5.9 | CN(C)CCC(OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104637 | 217843 | 0 | None | - | 0 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
155560750 | 181860 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568539 | 181860 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL3104637 | 217843 | 0 | None | - | 0 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
137628890 | 167753 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4064003 | 167753 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4115991 | 167753 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 7.7 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137629876 | 167971 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4076150 | 167971 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117692 | 167971 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.6 | NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
137630474 | 167848 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4065552 | 167848 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116679 | 167848 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 492 | 9 | 1 | 4 | 6.0 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137631154 | 167980 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
122177627 | 127977 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577303 | 127977 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177627 | 127977 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577303 | 127977 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 5.0 | NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137630802 | 167890 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4087877 | 167890 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117095 | 167890 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 547 | 10 | 1 | 5 | 7.2 | CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2cccc3ccccc23)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177626 | 127976 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577302 | 127976 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177626 | 127976 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577302 | 127976 | 0 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
11496252 | 145482 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.6 | Cc1ccc(S(=O)(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
CHEMBL377938 | 145482 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.6 | Cc1ccc(S(=O)(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1 | 10.1021/jm051121i | |||
11567714 | 81926 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.6 | CN(C)CCC(NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL203626 | 81926 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.6 | CN(C)CCC(NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
137631154 | 167980 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
137629890 | 167791 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4069649 | 167791 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116283 | 167791 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 6.5 | COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
122177628 | 127978 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577304 | 127978 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177628 | 127978 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577304 | 127978 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 510 | 9 | 4 | 5 | 4.5 | NCCCC[C@@H]1N=C(c2cccc3ccccc23)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
127051389 | 147771 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823484 | 147771 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
11663047 | 8428 | 20 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1021/jm051121i | |||
3501 | 8428 | 20 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1021/jm051121i | |||
CHEMBL204989 | 8428 | 20 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 5.4 | CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C | 10.1021/jm051121i | |||
11589093 | 82691 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 384 | 6 | 1 | 2 | 4.8 | CN(C)CCC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
CHEMBL204988 | 82691 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 384 | 6 | 1 | 2 | 4.8 | CN(C)CCC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 | 10.1021/jm051121i | |||
122177630 | 127980 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577306 | 127980 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
122177630 | 127980 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577306 | 127980 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 9 | 5 | 5 | 4.5 | NCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177636 | 127986 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577312 | 127986 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177636 | 127986 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577312 | 127986 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
137631154 | 167980 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4071437 | 167980 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117761 | 167980 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 7.0 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
137630689 | 167878 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4092221 | 167878 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4116960 | 167878 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 504 | 9 | 1 | 4 | 6.4 | COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01525 | |||
122177635 | 127985 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577311 | 127985 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177633 | 127983 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577309 | 127983 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177635 | 127985 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577311 | 127985 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 512 | 9 | 5 | 5 | 4.3 | NCCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177633 | 127983 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577309 | 127983 | 0 | None | - | 0 | Rat | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 538 | 10 | 5 | 5 | 4.9 | NCCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3104638 | 217844 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
155544020 | 180094 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4526244 | 180094 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL3104467 | 217841 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104638 | 217844 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
24955187 | 83493 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL206552 | 83493 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL574304 | 83493 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 360 | 8 | 1 | 3 | 3.8 | CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 | 10.1021/jm051121i | |||
CHEMBL3104639 | 217845 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
127052350 | 147776 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1097 | 18 | 13 | 15 | -0.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823569 | 147776 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1097 | 18 | 13 | 15 | -0.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
137631155 | 167981 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4100932 | 167981 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
CHEMBL4117762 | 167981 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 6.7 | NCCCCN1N=C(/C=C/c2ccc(O)cc2)c2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O | 10.1021/acs.jmedchem.7b01525 | |||
122177626 | 127976 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577302 | 127976 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
122177626 | 127976 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
CHEMBL3577302 | 127976 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 496 | 8 | 4 | 5 | 4.1 | NCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O | 10.1021/acs.jmedchem.5b00162 | |||
155529504 | 178211 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4462940 | 178211 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
127049894 | 147739 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc3ccccc3c2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3823122 | 147739 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1108 | 18 | 12 | 15 | 0.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc3ccccc3c2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
127050201 | 147717 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1134 | 19 | 12 | 15 | 1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
CHEMBL3822808 | 147717 | 0 | None | - | 0 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1134 | 19 | 12 | 15 | 1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.6b00108 | |||
155520913 | 177315 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4449844 | 177315 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
44189349 | 188574 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1059 | 18 | 13 | 14 | -0.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4777970 | 188574 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1059 | 18 | 13 | 14 | -0.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL3104464 | 217839 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
134134886 | 151248 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 595 | 6 | 2 | 5 | 6.2 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(C(F)(F)F)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3906682 | 151248 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 595 | 6 | 2 | 5 | 6.2 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(C(F)(F)F)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
134155324 | 157715 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 5.2 | COc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3957806 | 157715 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 5.2 | COc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
156012877 | 184220 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1054 | 17 | 11 | 14 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3cccnc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4638745 | 184220 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1054 | 17 | 11 | 14 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3cccnc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
162657061 | 187679 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4757669 | 187679 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
156017817 | 184608 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1077 | 16 | 11 | 13 | 1.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4643905 | 184608 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1077 | 16 | 11 | 13 | 1.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
155552384 | 180922 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4546405 | 180922 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | |||
134156076 | 158075 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 3.4 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccccn1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3960613 | 158075 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 3.4 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccccn1 | 10.1016/j.bmcl.2016.08.049 | |||
71579840 | 95097 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 4.7 | COc1cc(Br)c(CNc2ccc(Cl)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348510 | 95097 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 4.7 | COc1cc(Br)c(CNc2ccc(Cl)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
86291695 | 123036 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1csc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358677 | 123036 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1csc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc12 | 10.1016/j.bmcl.2014.09.089 | |||
71579744 | 95090 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348503 | 95090 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
86292101 | 123044 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 428 | 6 | 3 | 5 | 3.6 | O=C(NCCN1CCC(O)(Cc2ccc(F)cc2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358687 | 123044 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 428 | 6 | 3 | 5 | 3.6 | O=C(NCCN1CCC(O)(Cc2ccc(F)cc2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
134152840 | 160291 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 5 | 4.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cccs1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3979822 | 160291 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 5 | 4.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cccs1 | 10.1016/j.bmcl.2016.08.049 | |||
10119117 | 95109 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 526 | 9 | 1 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348523 | 95109 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 526 | 9 | 1 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN(C)C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
156016806 | 184503 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1129 | 18 | 11 | 13 | 3.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4642313 | 184503 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1129 | 18 | 11 | 13 | 3.8 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
71579748 | 95094 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348507 | 95094 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
142747255 | 178220 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 7 | 1 | 5 | 5.3 | CCc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4463082 | 178220 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 7 | 1 | 5 | 5.3 | CCc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
123185525 | 150218 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 7 | 2 | 5 | 7.2 | Cc1ccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)cc1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3898238 | 150218 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 7 | 2 | 5 | 7.2 | Cc1ccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)cc1 | 10.1016/j.bmcl.2016.08.049 | |||
134133034 | 151317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 7 | 2 | 5 | 7.5 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3907266 | 151317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 7 | 2 | 5 | 7.5 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
86291907 | 123040 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)c1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358683 | 123040 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)c1 | 10.1016/j.bmcl.2014.09.089 | |||
142747275 | 176425 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4437224 | 176425 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | |||
142747296 | 178143 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 547 | 6 | 1 | 5 | 5.7 | O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4461733 | 178143 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 547 | 6 | 1 | 5 | 5.7 | O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
142747256 | 182455 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 537 | 8 | 1 | 6 | 5.5 | CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4581735 | 182455 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 537 | 8 | 1 | 6 | 5.5 | CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
142747281 | 182730 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cccc(F)c2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4588098 | 182730 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cccc(F)c2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
156013999 | 183975 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1054 | 17 | 11 | 14 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccncc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4635150 | 183975 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1054 | 17 | 11 | 14 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccncc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
162648628 | 186634 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 897 | 24 | 13 | 11 | -0.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4745321 | 186634 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 897 | 24 | 13 | 11 | -0.4 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
2164 | 10299 | 17 | None | -1 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
9846574 | 10299 | 17 | None | -1 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL366221 | 10299 | 17 | None | -1 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL3104637 | 217843 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
71580034 | 95110 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348524 | 95110 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 7 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CCCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
86305736 | 123027 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 3 | 5 | 2.8 | Cn1ccc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc21 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358667 | 123027 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 3 | 5 | 2.8 | Cn1ccc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc21 | 10.1016/j.bmcl.2014.09.089 | |||
162671682 | 189668 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 942 | 25 | 13 | 13 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4792095 | 189668 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 942 | 25 | 13 | 13 | -0.5 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL3104637 | 217843 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
142747285 | 180926 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 5.0 | Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4546510 | 180926 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 6 | 1 | 5 | 5.0 | Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
142747265 | 182392 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 523 | 8 | 1 | 6 | 5.1 | CCOc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4580364 | 182392 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 523 | 8 | 1 | 6 | 5.1 | CCOc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
71719582 | 95108 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 5.1 | CN1CC[C@H](Oc2cc(NCc3ccc(Cl)s3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348522 | 95108 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 5.1 | CN1CC[C@H](Oc2cc(NCc3ccc(Cl)s3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
134156326 | 161063 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 7 | 2 | 5 | 5.8 | CCc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3986509 | 161063 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 555 | 7 | 2 | 5 | 5.8 | CCc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3104640 | 217846 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104640 | 217846 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||||
86291908 | 123041 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1ccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358684 | 123041 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1ccc(CC2(O)CCN(CCNC(=O)Nc3ccnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2014.09.089 | |||
162646037 | 186293 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4741230 | 186293 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
156014461 | 183969 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1103 | 16 | 11 | 13 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4635039 | 183969 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1103 | 16 | 11 | 13 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
142747247 | 180833 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4543925 | 180833 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
86291906 | 123039 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358682 | 123039 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1 | 10.1016/j.bmcl.2014.09.089 | |||
86291904 | 123042 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2ccccc2Br)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358685 | 123042 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2ccccc2Br)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3104465 | 217840 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104465 | 217840 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc3[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
71580135 | 95115 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348529 | 95115 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
118723010 | 123030 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 408 | 6 | 3 | 6 | 2.2 | Cn1cnc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc21 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358670 | 123030 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 408 | 6 | 3 | 6 | 2.2 | Cn1cnc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc21 | 10.1016/j.bmcl.2014.09.089 | |||
71719581 | 95098 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348511 | 95098 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.2 | COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
118723009 | 123029 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 6 | 3 | 6 | 2.5 | Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2cnn(C)c2n1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358669 | 123029 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 422 | 6 | 3 | 6 | 2.5 | Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2cnn(C)c2n1 | 10.1016/j.bmcl.2014.09.089 | |||
11272107 | 95088 | 42 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 7 | 1 | 6 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348501 | 95088 | 42 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 7 | 1 | 6 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
71579747 | 95093 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348506 | 95093 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(CNc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
142747254 | 177285 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2cccc(-c3ccccc3)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4449461 | 177285 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2cccc(-c3ccccc3)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
142747252 | 180229 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)ccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4529337 | 180229 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)ccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
71579745 | 95091 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 487 | 7 | 0 | 5 | 4.5 | COc1cc(Br)c([S+]([O-])Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348504 | 95091 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 487 | 7 | 0 | 5 | 4.5 | COc1cc(Br)c([S+]([O-])Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
134151496 | 160004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.1 | N#Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3977330 | 160004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.1 | N#Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
142747291 | 176679 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4440805 | 176679 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
86291696 | 123037 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358679 | 123037 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 | 10.1016/j.bmcl.2014.09.089 | |||
145966260 | 171165 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
CHEMBL4213101 | 171165 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1116 | 16 | 12 | 13 | 2.3 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
142747243 | 181514 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4560366 | 181514 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
142747271 | 181744 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4565990 | 181744 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL3104463 | 217838 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
71720175 | 95107 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 356 | 5 | 1 | 4 | 4.5 | CN1CC[C@H](Oc2cc(NCc3cccs3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348521 | 95107 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 356 | 5 | 1 | 4 | 4.5 | CN1CC[C@H](Oc2cc(NCc3cccs3)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL3104643 | 217847 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104643 | 217847 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104462 | 217837 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104463 | 217838 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104462 | 217837 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
156016802 | 184499 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4642307 | 184499 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1053 | 17 | 11 | 13 | 2.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
10173280 | 9769 | 51 | None | -3 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
3516 | 9769 | 51 | None | -3 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
CHEMBL567303 | 9769 | 51 | None | -3 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
145978068 | 170515 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
CHEMBL4205274 | 170515 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1186 | 18 | 13 | 14 | 1.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
162659637 | 188072 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1058 | 30 | 14 | 13 | -0.0 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4762272 | 188072 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1058 | 30 | 14 | 13 | -0.0 | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
162660720 | 187965 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 908 | 24 | 12 | 11 | 0.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4761055 | 187965 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 908 | 24 | 12 | 11 | 0.2 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
71579839 | 95096 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(NCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348509 | 95096 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.8 | COc1cc(Br)c(NCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
142747279 | 181287 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4555094 | 181287 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 524 | 7 | 1 | 7 | 4.6 | O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
134148271 | 156719 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 6.9 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(-c3ccccc3)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3949719 | 156719 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 6.9 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(-c3ccccc3)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
86291694 | 123035 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2c(Br)csc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358676 | 123035 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2c(Br)csc12 | 10.1016/j.bmcl.2014.09.089 | |||
142747238 | 182313 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4578409 | 182313 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
142747253 | 177882 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 539 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1OC | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4457752 | 177882 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 539 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)cc1OC | 10.1016/j.bmcl.2018.12.058 | |||
71579743 | 95089 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348502 | 95089 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 4.2 | COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
134153111 | 159340 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 6 | 2 | 6 | 3.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccno1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3971737 | 159340 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 6 | 2 | 6 | 3.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccno1 | 10.1016/j.bmcl.2016.08.049 | |||
71579843 | 95099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | CN(C)CCOc1cc(NCc2ccccc2Br)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348513 | 95099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | CN(C)CCOc1cc(NCc2ccccc2Br)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | |||
86292104 | 123032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 6 | 3 | 5 | 3.5 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358672 | 123032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 6 | 3 | 5 | 3.5 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
156010342 | 183852 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | 2.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccsc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4633010 | 183852 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1059 | 17 | 11 | 14 | 2.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccsc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL3104459 | 217834 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104459 | 217834 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
142747273 | 178856 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 533 | 6 | 1 | 5 | 5.1 | O=C(c1ccc(-c2cc(F)c(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4472265 | 178856 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 533 | 6 | 1 | 5 | 5.1 | O=C(c1ccc(-c2cc(F)c(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
142747303 | 178165 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 547 | 6 | 1 | 5 | 6.0 | O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4462068 | 178165 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 547 | 6 | 1 | 5 | 6.0 | O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
86291905 | 123043 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2cccc(Br)c2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358686 | 123043 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 488 | 6 | 3 | 5 | 4.3 | O=C(NCCN1CCC(O)(Cc2cccc(Br)c2)CC1)Nc1ccnc2ccsc12 | 10.1016/j.bmcl.2014.09.089 | |||
155512483 | 176444 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4437489 | 176444 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1cccc(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c1 | 10.1016/j.bmcl.2018.12.058 | |||
162656670 | 187697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 953 | 25 | 12 | 13 | 0.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4757895 | 187697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 953 | 25 | 12 | 13 | 0.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
71579746 | 95092 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 471 | 7 | 0 | 5 | 5.5 | COc1cc(Br)c(SCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348505 | 95092 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 471 | 7 | 0 | 5 | 5.5 | COc1cc(Br)c(SCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
71720174 | 95105 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3cc4c(cc3Br)OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348519 | 95105 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3cc4c(cc3Br)OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
118723011 | 123031 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 394 | 6 | 3 | 5 | 3.0 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358671 | 123031 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 394 | 6 | 3 | 5 | 3.0 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccoc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3104638 | 217844 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104638 | 217844 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
148470142 | 176456 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4437619 | 176456 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 4.6 | N#Cc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1 | 10.1016/j.bmcl.2018.12.058 | |||
142747289 | 177370 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 6 | 1 | 5 | 4.7 | O=C(c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4450638 | 177370 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 479 | 6 | 1 | 5 | 4.7 | O=C(c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
162670598 | 189701 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4792481 | 189701 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 879 | 24 | 12 | 10 | 0.0 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
162677235 | 190274 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4799581 | 190274 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
123794584 | 159071 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1ccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)cc1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3969435 | 159071 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1ccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)cc1 | 10.1016/j.bmcl.2016.08.049 | |||
134152171 | 159993 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 7 | 2 | 7 | 5.1 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3977271 | 159993 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 7 | 2 | 7 | 5.1 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||||
145977223 | 170769 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
CHEMBL4208184 | 170769 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1092 | 17 | 12 | 13 | 2.6 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
145973104 | 171508 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
CHEMBL4217514 | 171508 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1142 | 16 | 12 | 13 | 1.5 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00789 | |||
134133573 | 150027 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 561 | 6 | 2 | 5 | 5.8 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(Cl)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3896625 | 150027 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 561 | 6 | 2 | 5 | 5.8 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(Cl)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
71579935 | 95101 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348515 | 95101 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl | 10.1016/j.bmcl.2013.01.105 | |||
71718978 | 95106 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 8 | 1 | 6 | 4.4 | COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)c(O[C@H]2CCN(C)C2)c1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348520 | 95106 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 440 | 8 | 1 | 6 | 4.4 | COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)c(O[C@H]2CCN(C)C2)c1 | 10.1016/j.bmcl.2013.01.105 | |||
134141359 | 153574 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 6 | 2 | 5 | 5.3 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(F)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3924660 | 153574 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 6 | 2 | 5 | 5.3 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(F)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
134142270 | 152403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1ccccc1-c1ccc2cc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)sc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3915656 | 152403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1ccccc1-c1ccc2cc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)sc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3104639 | 217845 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104639 | 217845 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
142747294 | 177846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4457118 | 177846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
21023902 | 10308 | 28 | None | 2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | |||
2165 | 10308 | 28 | None | 2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL522770 | 10308 | 28 | None | 2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1016/j.bmcl.2013.01.105 | |||
142747268 | 178381 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4465326 | 178381 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 6.4 | O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL3104461 | 217836 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
86291697 | 123038 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 438 | 7 | 3 | 5 | 4.1 | CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358680 | 123038 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 438 | 7 | 3 | 5 | 4.1 | CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3104461 | 217836 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
162651887 | 187050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4750625 | 187050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
86305831 | 123028 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 6 | 3 | 5 | 2.8 | Cn1ccc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c21 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358668 | 123028 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 6 | 3 | 5 | 2.8 | Cn1ccc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c21 | 10.1016/j.bmcl.2014.09.089 | |||
142747251 | 179270 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)cc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4483058 | 179270 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 1 | 5 | 5.0 | O=C(c1ccc(-c2cc(F)cc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
134140417 | 153057 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cnccn1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3920751 | 153057 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cnccn1 | 10.1016/j.bmcl.2016.08.049 | |||
71716535 | 95104 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348518 | 95104 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 4.9 | CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
71580035 | 95112 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CCOCC3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348526 | 95112 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 4.0 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CCOCC3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
134141963 | 153775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 527 | 6 | 2 | 5 | 5.2 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3926450 | 153775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 527 | 6 | 2 | 5 | 5.2 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
142747298 | 180034 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4524693 | 180034 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 513 | 6 | 1 | 5 | 5.3 | O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
71579838 | 95095 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 4.8 | COc1cc(Br)c(OCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348508 | 95095 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 4.8 | COc1cc(Br)c(OCc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
10303115 | 17198 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 5 | 6.2 | COc1cc2c(cc1OC)C(CCc1cc(F)ccc1F)N(CCNC(=O)Nc1cc(C)nc3ccccc13)CC2 | 10.1021/jm901294u | |||
CHEMBL1163360 | 17198 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 5 | 6.2 | COc1cc2c(cc1OC)C(CCc1cc(F)ccc1F)N(CCNC(=O)Nc1cc(C)nc3ccccc13)CC2 | 10.1021/jm901294u | |||
142747258 | 180593 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4538387 | 180593 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
71717140 | 95103 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1cccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)c1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348517 | 95103 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1cccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)c1 | 10.1016/j.bmcl.2013.01.105 | |||
156012366 | 184186 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1083 | 19 | 11 | 14 | 2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
CHEMBL4638346 | 184186 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1083 | 19 | 11 | 14 | 2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.0c00223 | |||
71718372 | 95102 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1ccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348516 | 95102 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | COc1ccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1 | 10.1016/j.bmcl.2013.01.105 | |||
134151328 | 159011 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 6 | 2 | 5 | 5.5 | Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3968841 | 159011 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 6 | 2 | 5 | 5.5 | Cc1ccc2sc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)cc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
123922871 | 160065 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 2 | 5 | 7.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccc(F)cc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3977836 | 160065 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 2 | 5 | 7.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccc(F)cc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
134146007 | 155748 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 3.6 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccco1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3942137 | 155748 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 3.6 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccco1 | 10.1016/j.bmcl.2016.08.049 | |||
86294592 | 123034 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c2s1 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358674 | 123034 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 6 | 3 | 5 | 3.8 | Cc1cc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c2s1 | 10.1016/j.bmcl.2014.09.089 | |||
162668637 | 189426 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4788762 | 189426 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 890 | 24 | 11 | 10 | 0.7 | CCC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL3104644 | 217848 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
123264706 | 150139 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.1 | N#Cc1ccc2cc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)sc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3897677 | 150139 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 6 | 2 | 6 | 5.1 | N#Cc1ccc2cc(C(=O)NC3CCN(Cc4ccc(OC5CCNCC5)c(Br)c4)CC3)sc2c1 | 10.1016/j.bmcl.2016.08.049 | |||
71580134 | 95114 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348528 | 95114 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 552 | 8 | 1 | 6 | 4.8 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCCN3C)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL3104460 | 217835 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104460 | 217835 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2Cc3c([nH]c4ccccc34)CN(C2=O)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
71717139 | 95100 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 5.2 | CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348514 | 95100 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 5.2 | CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 | 10.1016/j.bmcl.2013.01.105 | |||
71580133 | 95113 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 9 | 1 | 7 | 3.9 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CCN(C)CC3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
CHEMBL2348527 | 95113 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 9 | 1 | 7 | 3.9 | COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CCN(C)CC3)c2)cc1OC | 10.1016/j.bmcl.2013.01.105 | |||
134142581 | 152407 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 605 | 6 | 2 | 5 | 6.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(Br)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3915670 | 152407 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 605 | 6 | 2 | 5 | 6.0 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2cc(Br)ccc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
134156353 | 161141 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1cccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3987058 | 161141 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 633 | 8 | 2 | 6 | 6.9 | COc1cccc(-c2ccc3cc(C(=O)NC4CCN(Cc5ccc(OC6CCNCC6)c(Br)c5)CC4)sc3c2)c1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3104467 | 217841 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
CHEMBL3104467 | 217841 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
162644923 | 186208 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 911 | 25 | 12 | 11 | -0.1 | COc1ccc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00164 | |||
CHEMBL4740325 | 186208 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 911 | 25 | 12 | 11 | -0.1 | COc1ccc(C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00164 | |||
155543279 | 180074 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4525919 | 180074 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2cccc(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL3104644 | 217848 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm401153j | |||||
134151441 | 160168 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 6.9 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccccc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3978782 | 160168 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 603 | 7 | 2 | 5 | 6.9 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cc2ccc(-c3ccccc3)cc2s1 | 10.1016/j.bmcl.2016.08.049 | |||
142747242 | 177314 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
CHEMBL4449808 | 177314 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1 | 10.1016/j.bmcl.2018.12.058 | |||
118723012 | 123033 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 410 | 6 | 3 | 5 | 3.5 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2sccc12 | 10.1016/j.bmcl.2014.09.089 | |||
CHEMBL3358673 | 123033 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 410 | 6 | 3 | 5 | 3.5 | O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2sccc12 | 10.1016/j.bmcl.2014.09.089 | |||
134138102 | 154635 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 3.4 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cscn1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL3933152 | 154635 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 3.4 | O=C(NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1)c1cscn1 | 10.1016/j.bmcl.2016.08.049 | |||
CHEMBL1165797 | 215313 | 0 | None | - | 1 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm901294u | |||||
CHEMBL577772 | 222556 | 0 | None | - | 1 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
CHEMBL577772 | 222556 | 0 | None | - | 1 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm900683d | |||||
CHEMBL1163463 | 215298 | 7 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm901294u | |||||
CHEMBL390094 | 219216 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm025549i | |||||
CHEMBL390094 | 219216 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0309912 | |||||
CHEMBL390094 | 219216 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL390094 | 219216 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL3315139 | 218142 | 9 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL426020 | 220122 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm025549i | |||||
CHEMBL426020 | 220122 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0309912 | |||||
CHEMBL426020 | 220122 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL426020 | 220122 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL504097 | 220953 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
44561239 | 180485 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 563 | 10 | 1 | 5 | 5.4 | CN(C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL453587 | 180485 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 563 | 10 | 1 | 5 | 5.4 | CN(C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL3315142 | 218145 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
44449106 | 101888 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 501 | 5 | 0 | 4 | 4.6 | O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL255509 | 101888 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 501 | 5 | 0 | 4 | 4.6 | O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
44449079 | 102238 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 461 | 5 | 0 | 4 | 3.9 | Cc1cc2c(cc1C)N(CC(=O)N1CCCC(c3ccccc3)C1CN1CCCC1)C(=O)CO2 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL257171 | 102238 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 461 | 5 | 0 | 4 | 3.9 | Cc1cc2c(cc1C)N(CC(=O)N1CCCC(c3ccccc3)C1CN1CCCC1)C(=O)CO2 | 10.1016/j.bmcl.2008.05.027 | |||
44449053 | 102191 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.6 | O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL256989 | 102191 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.6 | O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL3315141 | 218144 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315148 | 218151 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm025549i | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0309912 | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL437430 | 220497 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL509604 | 222355 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL593662 | 222592 | 9 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL510618 | 222364 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL2371933 | 216934 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
44449004 | 102293 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 458 | 5 | 0 | 5 | 3.9 | Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCCC3)c2cc1C | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL257415 | 102293 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 458 | 5 | 0 | 5 | 3.9 | Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCCC3)c2cc1C | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL3315147 | 218150 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL385281 | 219125 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
44448876 | 101878 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 4.6 | O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL255462 | 101878 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 4.6 | O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL3315146 | 218149 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL2370836 | 216711 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(C)(C)SSC1(C)C)C(=O)O | 10.1021/jm025549i | |||||
CHEMBL2370836 | 216711 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(C)(C)SSC1(C)C)C(=O)O | 10.1021/jm0309912 | |||||
CHEMBL224616 | 216228 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL388060 | 219193 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL374468 | 218980 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CN[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0602110 | |||||
CHEMBL448403 | 220735 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
155536007 | 178905 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4472928 | 178905 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
135747623 | 181844 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568153 | 181844 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL3315144 | 218147 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315152 | 218155 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315150 | 218153 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL3315140 | 218143 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
44580517 | 194798 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 279 | 3 | 2 | 2 | 4.7 | c1ccc2c(c1)[nH]c1ccnc(NCC3CCCCC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497562 | 194798 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 279 | 3 | 2 | 2 | 4.7 | c1ccc2c(c1)[nH]c1ccnc(NCC3CCCCC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580475 | 199999 | 0 | None | 39 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL523566 | 199999 | 0 | None | 39 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
25067045 | 162287 | 0 | None | -1 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL404177 | 162287 | 0 | None | -1 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL412179 | 219753 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL389654 | 219211 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
44568398 | 190313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 539 | 7 | 2 | 4 | 4.9 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL479994 | 190313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 539 | 7 | 2 | 4 | 4.9 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44448290 | 102146 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.0 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256773 | 102146 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.0 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580679 | 194780 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1nccc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497368 | 194780 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1nccc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580518 | 194835 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 287 | 4 | 2 | 2 | 4.4 | c1ccc(CCNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497765 | 194835 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 287 | 4 | 2 | 2 | 4.4 | c1ccc(CCNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
44399254 | 74410 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 509 | 13 | 3 | 5 | 3.9 | CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL190501 | 74410 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 509 | 13 | 3 | 5 | 3.9 | CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44580519 | 194663 | 0 | None | -15 | 2 | Cat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL496516 | 194663 | 0 | None | -15 | 2 | Cat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | |||
12704866 | 195117 | 0 | None | -63 | 2 | Cat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL500880 | 195117 | 0 | None | -63 | 2 | Cat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
44448714 | 102283 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257365 | 102283 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44568339 | 190628 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 8 | 1 | 4 | 5.2 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL480776 | 190628 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 8 | 1 | 4 | 5.2 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44534500 | 201785 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 461 | 6 | 1 | 4 | 4.4 | Cc1cc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCN(C)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL548340 | 201785 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 461 | 6 | 1 | 4 | 4.4 | Cc1cc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCN(C)C1 | 10.1016/j.bmcl.2008.06.019 | |||
25127071 | 205338 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL578203 | 205338 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 626 | 12 | 0 | 8 | 5.1 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
25124736 | 205340 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL578205 | 205340 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 4.1 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL509042 | 222041 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
10120078 | 74416 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL190533 | 74416 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL1163479 | 215304 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
46907359 | 17235 | 0 | None | 50 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 12 | 2 | 6 | 4.4 | CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1021/jm901294u | |||
CHEMBL1164523 | 17235 | 0 | None | 50 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 12 | 2 | 6 | 4.4 | CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1021/jm901294u | |||
10190075 | 195537 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 676 | 10 | 3 | 7 | 4.5 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL505360 | 195537 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 676 | 10 | 3 | 7 | 4.5 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL3315151 | 218154 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL2370837 | 216712 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)CSSC1(C)C)C(=O)O | 10.1021/jm025549i | |||||
CHEMBL2372643 | 217057 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC1(C)C)C(=O)O | 10.1021/jm0309912 | |||||
44580564 | 194582 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 255 | 5 | 2 | 3 | 3.2 | CCOCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495907 | 194582 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 255 | 5 | 2 | 3 | 3.2 | CCOCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580476 | 194589 | 0 | None | 125 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CC(C)CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495937 | 194589 | 0 | None | 125 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CC(C)CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
12704866 | 195117 | 0 | None | 63 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL500880 | 195117 | 0 | None | 63 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 273 | 3 | 2 | 2 | 4.3 | c1ccc(CNc2nccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL387916 | 219192 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL3315145 | 218148 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
44597398 | 203577 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL565580 | 203577 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44568429 | 197544 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 575 | 6 | 2 | 5 | 4.1 | O=C(N[C@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL518312 | 197544 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 575 | 6 | 2 | 5 | 4.1 | O=C(N[C@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
10278166 | 10301 | 35 | None | 2 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 10.1021/jm901294u | |||
3531 | 10301 | 35 | None | 2 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 10.1021/jm901294u | |||
CHEMBL1164033 | 10301 | 35 | None | 2 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 10.1021/jm901294u | |||
10120078 | 74416 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL190533 | 74416 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 550 | 13 | 2 | 6 | 4.8 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44399063 | 75404 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 13 | 2 | 5 | 4.9 | CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL191793 | 75404 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 13 | 2 | 5 | 4.9 | CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44580475 | 199999 | 0 | None | -39 | 2 | Cat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL523566 | 199999 | 0 | None | -39 | 2 | Cat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCC(C)CNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448653 | 178512 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 4 | 0 | 4 | 3.8 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCOCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL446717 | 178512 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 4 | 0 | 4 | 3.8 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCOCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44561196 | 180292 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL453074 | 180292 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
44593421 | 193481 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL488470 | 193481 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
23627666 | 203904 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL567759 | 203904 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 700 | 13 | 2 | 9 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL508811 | 221919 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
44449136 | 162039 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 519 | 9 | 0 | 5 | 4.6 | COCCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL402813 | 162039 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 519 | 9 | 0 | 5 | 4.6 | COCCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
44596966 | 204087 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL568764 | 204087 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 651 | 12 | 1 | 9 | 5.4 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL415851 | 219984 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0602110 | |||||
24804491 | 96729 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 610 | 7 | 1 | 6 | 5.3 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL238066 | 96729 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 610 | 7 | 1 | 6 | 5.3 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
10210584 | 190837 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 589 | 6 | 2 | 5 | 4.5 | O=C(NC1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL482302 | 190837 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 589 | 6 | 2 | 5 | 4.5 | O=C(NC1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
45486917 | 204213 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 12 | 1 | 8 | 4.3 | COc1ccc([C@@H](CCCNS(C)(=O)=O)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL569689 | 204213 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 12 | 1 | 8 | 4.3 | COc1ccc([C@@H](CCCNS(C)(=O)=O)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44561123 | 200484 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL527199 | 200484 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL1165794 | 215311 | 1 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
44597071 | 205341 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL578206 | 205341 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 12 | 1 | 8 | 5.8 | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
44568399 | 199363 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 7 | 2 | 4 | 4.8 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL521418 | 199363 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 7 | 2 | 4 | 4.8 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44448469 | 101971 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 432 | 5 | 0 | 3 | 5.6 | Cc1ccc2scc(CC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3CN3CCCC3)c2c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL255927 | 101971 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 432 | 5 | 0 | 3 | 5.6 | Cc1ccc2scc(CC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3CN3CCCC3)c2c1 | 10.1016/j.bmcl.2008.03.078 | |||
25067046 | 161951 | 3 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL402303 | 161951 | 3 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL389653 | 219210 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL500949 | 220908 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
44596869 | 203717 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566366 | 203717 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 11 | 2 | 9 | 3.3 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCNCC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44534506 | 190832 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 554 | 8 | 2 | 5 | 4.0 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL482258 | 190832 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 554 | 8 | 2 | 5 | 4.0 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
155540766 | 179287 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4483461 | 179287 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL425467 | 220115 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
10230399 | 130130 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL361664 | 130130 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448314 | 175534 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 6 | 0 | 3 | 5.1 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL437216 | 175534 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 441 | 6 | 0 | 3 | 5.1 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580476 | 194589 | 0 | None | -125 | 2 | Cat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CC(C)CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495937 | 194589 | 0 | None | -125 | 2 | Cat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CC(C)CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448691 | 101672 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL254153 | 101672 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448337 | 102021 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | CC(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256159 | 102021 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | CC(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580436 | 179207 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 2 | 2 | 2 | 3.1 | CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL447747 | 179207 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 2 | 2 | 2 | 3.1 | CCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448775 | 101709 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL254356 | 101709 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44561197 | 180293 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL453075 | 180293 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
44448775 | 101709 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL254356 | 101709 | 2 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
44597068 | 203549 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL565395 | 203549 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 700 | 13 | 1 | 10 | 4.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL3315153 | 218156 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
24804325 | 152132 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 614 | 8 | 1 | 5 | 5.2 | O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL391355 | 152132 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 614 | 8 | 1 | 5 | 5.2 | O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
23627554 | 203683 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 471 | 7 | 0 | 6 | 3.8 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566187 | 203683 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 471 | 7 | 0 | 6 | 3.8 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
23627556 | 205256 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL577518 | 205256 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44448691 | 101672 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL254153 | 101672 | 3 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL1163471 | 215300 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
25126424 | 203801 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL567075 | 203801 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 562 | 11 | 1 | 7 | 4.8 | CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
25125764 | 203970 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL568123 | 203970 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 12 | 1 | 7 | 5.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
44568526 | 197328 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 626 | 11 | 3 | 6 | 5.0 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(CCc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL517991 | 197328 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 626 | 11 | 3 | 6 | 5.0 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(CCc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL376223 | 219022 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL501579 | 220919 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
44580563 | 199916 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.8 | COCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL522895 | 199916 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.8 | COCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
2164 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
9846574 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL366221 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
12052419 | 74805 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 13 | 2 | 5 | 4.3 | CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL191401 | 74805 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 572 | 13 | 2 | 5 | 4.3 | CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44580473 | 194717 | 0 | None | -31 | 2 | Cat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 6 | 2 | 2 | 4.7 | CCCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL496920 | 194717 | 0 | None | -31 | 2 | Cat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 6 | 2 | 2 | 4.7 | CCCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448474 | 102016 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](c2ccccc2)C[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256140 | 102016 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](c2ccccc2)C[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448317 | 102094 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 3 | 4.6 | Cc1ccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)cc1C | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256516 | 102094 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 6 | 0 | 3 | 4.6 | Cc1ccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)cc1C | 10.1016/j.bmcl.2008.03.078 | |||
44448514 | 162222 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 4.8 | C[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL403833 | 162222 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 4.8 | C[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44399475 | 74364 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL190137 | 74364 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44399166 | 177791 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 13 | 2 | 6 | 2.9 | CC(C)C[C@H](NC(=O)c1ccncc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL445655 | 177791 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 13 | 2 | 6 | 2.9 | CC(C)C[C@H](NC(=O)c1ccncc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448549 | 102436 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 5.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL258017 | 102436 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 5.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL375241 | 218994 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
44449228 | 102375 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.2 | N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL257767 | 102375 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.2 | N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
44449107 | 161984 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 5 | 0 | 5 | 3.8 | O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL402520 | 161984 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 517 | 5 | 0 | 5 | 3.8 | O=C1COc2cc(Cl)c(Cl)cc2N1CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
155544020 | 180094 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4526244 | 180094 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL218825 | 216180 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL3315149 | 218152 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
CHEMBL265166 | 217418 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL524855 | 222401 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL216712 | 216119 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
155567837 | 182816 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4590360 | 182816 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL266651 | 217469 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
44561157 | 193499 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 8 | 0 | 3 | 6.4 | CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL488642 | 193499 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 8 | 0 | 3 | 6.4 | CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
155537736 | 179125 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4475783 | 179125 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
2164 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
9846574 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
CHEMBL366221 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
CHEMBL1163475 | 215302 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
23627305 | 204212 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 642 | 11 | 1 | 8 | 6.2 | COc1ccc(C(CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL569688 | 204212 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 642 | 11 | 1 | 8 | 6.2 | COc1ccc(C(CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
2164 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | |||
9846574 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL366221 | 10299 | 17 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2008.06.019 | |||
155550733 | 181063 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4549818 | 181063 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
155524911 | 177697 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4455086 | 177697 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL505288 | 220970 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
155537097 | 179035 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4474481 | 179035 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
155560750 | 181860 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4568539 | 181860 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL219356 | 216191 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
23627555 | 204536 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL571683 | 204536 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc([C@@H](C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44534510 | 190311 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 615 | 8 | 1 | 4 | 6.8 | O=C(N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL479993 | 190311 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 615 | 8 | 1 | 4 | 6.8 | O=C(N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
155519842 | 177154 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4447811 | 177154 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
45487731 | 205342 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL578207 | 205342 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 12 | 2 | 8 | 3.0 | CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
44448510 | 102279 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 5 | 0 | 3 | 6.4 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](C2CCCCC2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257337 | 102279 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 5 | 0 | 3 | 6.4 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](C2CCCCC2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44580519 | 194663 | 0 | None | 15 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL496516 | 194663 | 0 | None | 15 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 279 | 3 | 2 | 3 | 4.4 | c1csc(CNc2nccc3[nH]c4ccccc4c23)c1 | 10.1016/j.bmcl.2008.08.054 | |||
44580437 | 195857 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 225 | 3 | 2 | 2 | 3.5 | CCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL509831 | 195857 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 225 | 3 | 2 | 2 | 3.5 | CCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44561156 | 193497 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL488635 | 193497 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 7 | 0 | 3 | 4.7 | CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
2164 | 10299 | 17 | None | -1 | 3 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
9846574 | 10299 | 17 | None | -1 | 3 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL366221 | 10299 | 17 | None | -1 | 3 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
44399168 | 141964 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 510 | 13 | 2 | 6 | 3.9 | CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL372019 | 141964 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 510 | 13 | 2 | 6 | 3.9 | CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448431 | 102323 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(Cc1csc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257563 | 102323 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(Cc1csc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44399476 | 74279 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 9 | 1 | 6 | 2.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL189482 | 74279 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 425 | 9 | 1 | 6 | 2.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44399169 | 142360 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 9 | 1 | 4 | 3.0 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccc3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL372911 | 142360 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 9 | 1 | 4 | 3.0 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccc3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44399083 | 166827 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 12 | 2 | 5 | 2.3 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL410825 | 166827 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 12 | 2 | 5 | 2.3 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44399234 | 168639 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL414847 | 168639 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44580515 | 194797 | 0 | None | -89 | 2 | Cat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497561 | 194797 | 0 | None | -89 | 2 | Cat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448394 | 161986 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.4 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL402543 | 161986 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.4 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44580477 | 195554 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 223 | 2 | 2 | 2 | 3.3 | c1ccc2c(c1)[nH]c1ccnc(NC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL505617 | 195554 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 223 | 2 | 2 | 2 | 3.3 | c1ccc2c(c1)[nH]c1ccnc(NC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL505358 | 220971 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
11995575 | 10733 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0602110 | |||||
2156 | 10733 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0602110 | |||||
CHEMBL437110 | 10733 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0602110 | |||||
24804324 | 96669 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 608 | 8 | 1 | 5 | 5.4 | CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL237879 | 96669 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 608 | 8 | 1 | 5 | 5.4 | CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
44596867 | 203749 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 674 | 12 | 1 | 9 | 5.4 | COc1ccc(C(CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566565 | 203749 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 674 | 12 | 1 | 9 | 5.4 | COc1ccc(C(CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
45486910 | 204155 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 660 | 11 | 1 | 9 | 5.0 | COc1ccc(C(CNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL569238 | 204155 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 660 | 11 | 1 | 9 | 5.0 | COc1ccc(C(CNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44561240 | 179394 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 4.2 | CC(=O)Nc1ccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(C)c(C)cc43)cc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL449192 | 179394 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 4.2 | CC(=O)Nc1ccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(C)c(C)cc43)cc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
44561238 | 180289 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 582 | 12 | 1 | 5 | 5.5 | COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL453067 | 180289 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 582 | 12 | 1 | 5 | 5.5 | COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44449052 | 102190 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 514 | 5 | 0 | 6 | 3.8 | O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL256988 | 102190 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 514 | 5 | 0 | 6 | 3.8 | O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
10121972 | 189833 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 626 | 10 | 3 | 6 | 5.3 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL479413 | 189833 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 626 | 10 | 3 | 6 | 5.3 | CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
2164 | 10299 | 17 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
9846574 | 10299 | 17 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
CHEMBL366221 | 10299 | 17 | None | 1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1021/jm901294u | |||
155524087 | 177672 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4454498 | 177672 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1074 | 18 | 12 | 14 | 0.7 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
155529504 | 178211 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4462940 | 178211 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL507406 | 221089 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
25067045 | 162287 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL404177 | 162287 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
25067560 | 194750 | 0 | None | 31 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497171 | 194750 | 0 | None | 31 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580472 | 194751 | 0 | None | 100 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 253 | 5 | 2 | 2 | 4.3 | CCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497172 | 194751 | 0 | None | 100 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 253 | 5 | 2 | 2 | 4.3 | CCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
24804323 | 97595 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 643 | 9 | 2 | 5 | 5.3 | O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL239199 | 97595 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 643 | 9 | 2 | 5 | 5.3 | O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
44435044 | 97659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 4.9 | O=C(NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL239250 | 97659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 4.9 | O=C(NCC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
44448513 | 101920 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 5.0 | CCCO[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL255665 | 101920 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 434 | 7 | 0 | 4 | 5.0 | CCCO[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448471 | 102015 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1C[C@H](c2ccccc2)CC[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256138 | 102015 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1C[C@H](c2ccccc2)CC[C@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448338 | 102022 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.7 | CCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256160 | 102022 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.7 | CCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580683 | 194810 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 269 | 5 | 2 | 3 | 3.9 | CCCCNc1ccnc2[nH]c3c(OC)cccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497580 | 194810 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 269 | 5 | 2 | 3 | 3.9 | CCCCNc1ccnc2[nH]c3c(OC)cccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
23627492 | 203636 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 513 | 8 | 0 | 6 | 5.3 | CCC(c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O | 10.1021/jm900683d | |||
CHEMBL565937 | 203636 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 513 | 8 | 0 | 6 | 5.3 | CCC(c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O | 10.1021/jm900683d | |||
23627613 | 203716 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 507 | 7 | 0 | 6 | 4.1 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566364 | 203716 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 507 | 7 | 0 | 6 | 4.1 | COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
23627557 | 203723 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc(C(C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566389 | 203723 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 7 | 0 | 6 | 4.9 | COc1ccc(C(C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44399163 | 103550 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL264726 | 103550 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44580634 | 194586 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.8 | COCCNc1ccnc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495920 | 194586 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.8 | COCCNc1ccnc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
2164 | 10299 | 17 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
9846574 | 10299 | 17 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL366221 | 10299 | 17 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 10.1016/j.bmcl.2005.04.074 | |||
44399453 | 74601 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.3 | CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL190975 | 74601 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.3 | CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448361 | 168233 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 6 | 0 | 3 | 6.0 | Cc1ccc2scc(CCC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3CN3CCCC3)c2c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL412746 | 168233 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 6 | 0 | 3 | 6.0 | Cc1ccc2scc(CCC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3CN3CCCC3)c2c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448734 | 175782 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 0 | 3 | 4.0 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL439244 | 175782 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 0 | 3 | 4.0 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.03.078 | |||
44596965 | 203617 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL565806 | 203617 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 687 | 13 | 1 | 10 | 5.0 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44399163 | 103550 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL264726 | 103550 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
23627251 | 205698 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 542 | 10 | 1 | 7 | 4.7 | COc1ccc(C(CCCN)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL584545 | 205698 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 542 | 10 | 1 | 7 | 4.7 | COc1ccc(C(CCCN)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44596964 | 203730 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL566433 | 203730 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 612 | 12 | 1 | 9 | 4.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
44568226 | 190380 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL480170 | 190380 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 3.8 | CN(C)CCCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(Br)cc3)C2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
44568368 | 190831 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL482257 | 190831 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44568426 | 198444 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 491 | 8 | 2 | 5 | 4.2 | COc1cc(CCN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCNCC1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL519629 | 198444 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 491 | 8 | 2 | 5 | 4.2 | COc1cc(CCN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCNCC1 | 10.1016/j.bmcl.2008.06.019 | |||
44568484 | 190786 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 6 | 2 | 5 | 4.1 | O=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL481964 | 190786 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 6 | 2 | 5 | 4.1 | O=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44399062 | 76166 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 14 | 2 | 7 | 3.2 | CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL193133 | 76166 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 552 | 14 | 2 | 7 | 3.2 | CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44399093 | 134179 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 13 | 2 | 6 | 3.6 | CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL365966 | 134179 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 13 | 2 | 6 | 3.6 | CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44399084 | 140393 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 596 | 13 | 2 | 5 | 5.1 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL371361 | 140393 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 596 | 13 | 2 | 5 | 5.1 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2005.04.074 | |||
44580472 | 194751 | 0 | None | -100 | 2 | Cat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 253 | 5 | 2 | 2 | 4.3 | CCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497172 | 194751 | 0 | None | -100 | 2 | Cat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 253 | 5 | 2 | 2 | 4.3 | CCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448736 | 101626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 6 | 0 | 3 | 4.3 | Cc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL253749 | 101626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 6 | 0 | 3 | 4.3 | Cc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448692 | 101673 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 0 | 3 | 3.9 | CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL254154 | 101673 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 0 | 3 | 3.9 | CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL439551 | 220626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
44448732 | 101597 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL253540 | 101597 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580632 | 194585 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 6 | 1 | 3 | 5.5 | CCCCNc1nccc2c1c1ccccc1n2Cc1ccccc1 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495919 | 194585 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 6 | 1 | 3 | 5.5 | CCCCNc1nccc2c1c1ccccc1n2Cc1ccccc1 | 10.1016/j.bmcl.2008.08.054 | |||
24863522 | 195686 | 10 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 8 | 1 | 7 | 4.3 | CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(Cl)c(Cl)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL507691 | 195686 | 10 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 607 | 8 | 1 | 7 | 4.3 | CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(Cl)c(Cl)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
10173280 | 9769 | 51 | None | 3 | 2 | Rhesus macaque | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
3516 | 9769 | 51 | None | 3 | 2 | Rhesus macaque | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
CHEMBL567303 | 9769 | 51 | None | 3 | 2 | Rhesus macaque | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
25126427 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | |||
9437 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | |||
CHEMBL567713 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 10.1021/jm900683d | |||
25125422 | 204066 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL568637 | 204066 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 612 | 12 | 1 | 8 | 4.8 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
24893978 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | |||
8872 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL495075 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL1165796 | 215312 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
CHEMBL218994 | 216182 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
44448913 | 162328 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.4 | O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL404289 | 162328 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.4 | O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
11691 | 8760 | 7 | None | -91201 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 6 | 0 | 2 | 4.8 | Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C | 10.1016/j.bmcl.2008.05.058 | |||
3082718 | 8760 | 7 | None | -91201 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 6 | 0 | 2 | 4.8 | Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL38576 | 8760 | 7 | None | -91201 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 6 | 0 | 2 | 4.8 | Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL218698 | 216177 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
10173280 | 9769 | 51 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | |||
3516 | 9769 | 51 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | |||
CHEMBL567303 | 9769 | 51 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm900683d | |||
10119115 | 197538 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 6 | 1 | 4 | 4.8 | CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL518301 | 197538 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 525 | 6 | 1 | 4 | 4.8 | CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 | 10.1016/j.bmcl.2008.06.019 | |||
44568428 | 190379 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 7 | 2 | 4 | 4.2 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)cc2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL480165 | 190379 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 461 | 7 | 2 | 4 | 4.2 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)cc2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
24804816 | 153171 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 576 | 7 | 1 | 6 | 4.7 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL392166 | 153171 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 576 | 7 | 1 | 6 | 4.7 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
45486909 | 203924 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 614 | 9 | 1 | 8 | 5.4 | COc1ccc(C(CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL567866 | 203924 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 614 | 9 | 1 | 8 | 5.4 | COc1ccc(C(CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
25127072 | 204517 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL571537 | 204517 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 638 | 12 | 0 | 8 | 5.2 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CCC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
44568370 | 196617 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(O[C@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL516606 | 196617 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(O[C@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
16656749 | 203901 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL567736 | 203901 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 626 | 12 | 1 | 9 | 4.4 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44534490 | 201752 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 4.7 | CN1CCC(Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Cl)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL546011 | 201752 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 4.7 | CN1CCC(Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Cl)C1 | 10.1016/j.bmcl.2008.06.019 | |||
155520913 | 177315 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4449844 | 177315 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
44597070 | 203552 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL565416 | 203552 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.0 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC | 10.1021/jm900683d | |||
23627722 | 203983 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL568165 | 203983 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
10173280 | 9769 | 51 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
3516 | 9769 | 51 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
CHEMBL567303 | 9769 | 51 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 418 | 6 | 3 | 4 | 3.7 | O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1 | 10.1021/jm901294u | |||
44561276 | 180372 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 583 | 8 | 0 | 6 | 4.9 | COc1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL453329 | 180372 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 583 | 8 | 0 | 6 | 4.9 | COc1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44448976 | 102134 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 3.1 | Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCOCC3)c2cc1C | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL256721 | 102134 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 3.1 | Cc1cc2ncc(=O)n(CC(=O)N3CCCC(c4ccccc4)C3CN3CCOCC3)c2cc1C | 10.1016/j.bmcl.2008.05.027 | |||
44448947 | 102234 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 5 | 0 | 5 | 4.1 | O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL257150 | 102234 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 5 | 0 | 5 | 4.1 | O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL223905 | 216225 | 13 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm058043j | |||||
CHEMBL223905 | 216225 | 13 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL223905 | 216225 | 13 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
21023902 | 10308 | 28 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm9001346 | |||
2165 | 10308 | 28 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm9001346 | |||
CHEMBL522770 | 10308 | 28 | None | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm9001346 | |||
44568369 | 190833 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL482259 | 190833 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.5 | O=C(N[C@H]1CCN(Cc2ccc(O[C@@H]3CCNC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44448339 | 102059 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 8 | 0 | 3 | 6.1 | O=C(CN(CC1CC1)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256365 | 102059 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 8 | 0 | 3 | 6.1 | O=C(CN(CC1CC1)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44580631 | 194584 | 0 | None | 12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 253 | 4 | 1 | 3 | 3.9 | CCCCNc1nccc2c1c1ccccc1n2C | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495918 | 194584 | 0 | None | 12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 253 | 4 | 1 | 3 | 3.9 | CCCCNc1nccc2c1c1ccccc1n2C | 10.1016/j.bmcl.2008.08.054 | |||
44580682 | 194808 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 4 | 2 | 2 | 4.6 | CCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497579 | 194808 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 4 | 2 | 2 | 4.6 | CCCCNc1ccnc2[nH]c3ccc(Cl)cc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
18613636 | 190672 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 9 | 1 | 4 | 4.7 | CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL481129 | 190672 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 9 | 1 | 4 | 4.7 | CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2008.06.019 | |||
12052410 | 74725 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 13 | 3 | 5 | 4.0 | CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL191110 | 74725 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 13 | 3 | 5 | 4.0 | CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
12052411 | 75951 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 13 | 2 | 7 | 3.3 | CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL192552 | 75951 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 538 | 13 | 2 | 7 | 3.3 | CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
12052408 | 133159 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 13 | 2 | 5 | 3.6 | CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL365053 | 133159 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 13 | 2 | 5 | 3.6 | CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448656 | 101803 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 4 | 0 | 3 | 4.6 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL254994 | 101803 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 4 | 0 | 3 | 4.6 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448293 | 102147 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256774 | 102147 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.03.078 | |||
155560178 | 181710 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4565187 | 181710 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1030 | 16 | 11 | 13 | 1.2 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
24804326 | 152128 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 644 | 9 | 1 | 6 | 5.7 | O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL391354 | 152128 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 644 | 9 | 1 | 6 | 5.7 | O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
45486911 | 203960 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 628 | 10 | 1 | 8 | 5.8 | COc1ccc(C(CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL568089 | 203960 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 628 | 10 | 1 | 8 | 5.8 | COc1ccc(C(CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
23627612 | 204591 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL572138 | 204591 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CN2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
44596870 | 203943 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL567949 | 203943 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 11 | 1 | 9 | 3.6 | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
25127070 | 205339 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL578204 | 205339 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 624 | 12 | 0 | 8 | 4.8 | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC | 10.1021/jm900683d | |||
25067046 | 161951 | 3 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL402303 | 161951 | 3 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44561237 | 195024 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 567 | 8 | 1 | 7 | 3.6 | CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(C)c(C)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL499582 | 195024 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 567 | 8 | 1 | 7 | 3.6 | CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(C)c(C)cc43)cc2)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44448874 | 101877 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 485 | 5 | 0 | 6 | 3.8 | O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL255460 | 101877 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 485 | 5 | 0 | 6 | 3.8 | O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCCC(c2ccccc2)C1CN1CCOCC1 | 10.1016/j.bmcl.2008.05.027 | |||
44449202 | 102483 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 7 | 0 | 5 | 4.4 | N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL258251 | 102483 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 7 | 0 | 5 | 4.4 | N#CCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL3104471 | 217842 | 7 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
25067046 | 161951 | 3 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL402303 | 161951 | 3 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44580473 | 194717 | 0 | None | 31 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 267 | 6 | 2 | 2 | 4.7 | CCCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL496920 | 194717 | 0 | None | 31 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 267 | 6 | 2 | 2 | 4.7 | CCCCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580515 | 194797 | 0 | None | 89 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497561 | 194797 | 0 | None | 89 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 237 | 3 | 2 | 2 | 3.5 | c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
25067046 | 161951 | 3 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL402303 | 161951 | 3 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 5.3 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL452403 | 220760 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL3315143 | 218146 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)O | 10.1021/jm500218x | |||||
44534504 | 190627 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 527 | 9 | 1 | 4 | 5.1 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL480775 | 190627 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 527 | 9 | 1 | 4 | 5.1 | CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL1163477 | 215303 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm901294u | |||||
45487747 | 203663 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL566056 | 203663 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 564 | 11 | 1 | 8 | 4.9 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(Cl)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
44568400 | 190782 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 7 | 2 | 4 | 4.3 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL481946 | 190782 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 7 | 2 | 4 | 4.3 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(F)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
44448359 | 102280 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 1 | 3 | 5.3 | O=C(CNc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257349 | 102280 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 1 | 3 | 5.3 | O=C(CNc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44580681 | 194807 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCCCNc1ccnc2[nH]c3ccc(C)cc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497578 | 194807 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.2 | CCCCNc1ccnc2[nH]c3ccc(C)cc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
25211348 | 195536 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 281 | 5 | 1 | 3 | 5.0 | CCCCNc1nccc2c1c1ccccc1n2C(C)C | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL505353 | 195536 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 281 | 5 | 1 | 3 | 5.0 | CCCCNc1nccc2c1c1ccccc1n2C(C)C | 10.1016/j.bmcl.2008.08.054 | |||
44561195 | 179995 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 8 | 0 | 4 | 5.6 | CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL452298 | 179995 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 8 | 0 | 4 | 5.6 | CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.058 | |||
44561236 | 180172 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
CHEMBL452808 | 180172 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 7 | 0 | 5 | 4.9 | CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2008.05.058 | |||
12052412 | 76156 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 545 | 13 | 2 | 6 | 4.1 | CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL193033 | 76156 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 545 | 13 | 2 | 6 | 4.1 | CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44399398 | 76175 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 4.0 | Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)ccc1Cl | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL193266 | 76175 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 4.0 | Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)ccc1Cl | 10.1016/j.bmcl.2005.04.074 | |||
44399094 | 129133 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 9 | 1 | 4 | 4.1 | Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)ccc1Br | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL359993 | 129133 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 473 | 9 | 1 | 4 | 4.1 | Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)ccc1Br | 10.1016/j.bmcl.2005.04.074 | |||
12052415 | 142059 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 3.1 | CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL372658 | 142059 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 3.1 | CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44580631 | 194584 | 0 | None | -12 | 2 | Cat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 4 | 1 | 3 | 3.9 | CCCCNc1nccc2c1c1ccccc1n2C | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL495918 | 194584 | 0 | None | -12 | 2 | Cat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 253 | 4 | 1 | 3 | 3.9 | CCCCNc1nccc2c1c1ccccc1n2C | 10.1016/j.bmcl.2008.08.054 | |||
25067560 | 194750 | 0 | None | -31 | 2 | Cat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497171 | 194750 | 0 | None | -31 | 2 | Cat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448428 | 101919 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 479 | 5 | 1 | 2 | 5.3 | O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL255664 | 101919 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 479 | 5 | 1 | 2 | 5.3 | O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44206680 | 203780 | 0 | None | -25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | |||
CHEMBL566894 | 203780 | 0 | None | -25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm901294u | |||
44206680 | 203780 | 0 | None | -25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL566894 | 203780 | 0 | None | -25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | CCN1CCN(c2cccc3c2[C@H]2CCC[C@H](c4ccc(OC)c(OC)c4)N2C3=O)CC1 | 10.1021/jm900683d | |||
23728637 | 158501 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 8 | 1 | 7 | 4.2 | CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL396443 | 158501 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 8 | 1 | 7 | 4.2 | CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
44568427 | 190804 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 8 | 2 | 6 | 4.1 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL482114 | 190804 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 8 | 2 | 6 | 4.1 | O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL593662 | 222592 | 9 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||||
44448472 | 162248 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 496 | 5 | 0 | 3 | 6.1 | O=C(Cc1csc2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL403947 | 162248 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 496 | 5 | 0 | 3 | 6.1 | O=C(Cc1csc2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
25067045 | 162287 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL404177 | 162287 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
45486908 | 203671 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 3.9 | COc1ccc(C(CN)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL566144 | 203671 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 3.9 | COc1ccc(C(CN)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
10232516 | 199327 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 603 | 6 | 2 | 5 | 4.9 | O=C(NC1CCCCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL521117 | 199327 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 603 | 6 | 2 | 5 | 4.9 | O=C(NC1CCCCN(S(=O)(=O)c2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL428990 | 220268 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(C(=O)O)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
23627249 | 204013 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL568316 | 204013 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 688 | 13 | 1 | 9 | 5.7 | COc1ccc(C(CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
24804161 | 98524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 624 | 8 | 1 | 6 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
CHEMBL240916 | 98524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 624 | 8 | 1 | 6 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2007.09.092 | |||
44448772 | 162036 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 0 | 4 | 4.5 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL402805 | 162036 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 475 | 6 | 0 | 4 | 4.5 | CN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
44448315 | 102047 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256299 | 102047 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448316 | 102048 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 4.6 | CS(=O)(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL256300 | 102048 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 4.6 | CS(=O)(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448429 | 161952 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 5 | 0 | 2 | 5.3 | O=C(Cc1cccc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL402304 | 161952 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 5 | 0 | 2 | 5.3 | O=C(Cc1cccc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44580633 | 194409 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1ccnc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL494934 | 194409 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 239 | 4 | 2 | 2 | 3.9 | CCCCNc1ccnc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580565 | 200182 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 3 | 2 | 3 | 3.3 | c1ccc2c(c1)[nH]c1ccnc(NCC3CCCO3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL525759 | 200182 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 3 | 2 | 3 | 3.3 | c1ccc2c(c1)[nH]c1ccnc(NCC3CCCO3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
12052413 | 74287 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 12 | 2 | 5 | 4.5 | CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
CHEMBL189525 | 74287 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 12 | 2 | 5 | 4.5 | CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 | 10.1016/j.bmcl.2005.04.074 | |||
44448733 | 101625 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 7 | 0 | 4 | 4.0 | COc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL253747 | 101625 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 7 | 0 | 4 | 4.0 | COc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 | 10.1016/j.bmcl.2008.03.078 | |||
44448586 | 102319 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 4 | 0 | 4 | 3.4 | O=C(Cc1csc2ccc(Cl)cc12)N1CCOCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257552 | 102319 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 4 | 0 | 4 | 3.4 | O=C(Cc1csc2ccc(Cl)cc12)N1CCOCC1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448289 | 162310 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccccc1Cl | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL404244 | 162310 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 4.6 | CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccccc1Cl | 10.1016/j.bmcl.2008.03.078 | |||
44580680 | 194781 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 3 | 2 | 2 | 4.7 | c1ccc2c(c1)[nH]c1nccc(NCC3CCCCC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL497369 | 194781 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 279 | 3 | 2 | 2 | 4.7 | c1ccc2c(c1)[nH]c1nccc(NCC3CCCCC3)c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580630 | 199524 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 295 | 7 | 1 | 2 | 5.1 | CCCCN(CCCC)c1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL522074 | 199524 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 295 | 7 | 1 | 2 | 5.1 | CCCCN(CCCC)c1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44580474 | 199839 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.3 | CCCC(C)Nc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
CHEMBL522381 | 199839 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 253 | 4 | 2 | 2 | 4.3 | CCCC(C)Nc1nccc2[nH]c3ccccc3c12 | 10.1016/j.bmcl.2008.08.054 | |||
44448657 | 101804 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 5.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL254995 | 101804 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 390 | 4 | 0 | 3 | 5.0 | O=C(Cc1csc2ccc(Cl)cc12)N1CCCCC1CN1CCCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44448396 | 102244 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 412 | 5 | 0 | 2 | 5.3 | O=C(Cc1ccc2ccccc2c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
CHEMBL257187 | 102244 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 412 | 5 | 0 | 2 | 5.3 | O=C(Cc1ccc2ccccc2c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 | 10.1016/j.bmcl.2008.03.078 | |||
44449171 | 102182 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.3 | COCCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
CHEMBL256937 | 102182 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.3 | COCCN(CC(=O)N1CCCC(c2ccccc2)C1CN1CCCC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2008.05.027 | |||
21023902 | 10308 | 28 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | |||
2165 | 10308 | 28 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | |||
CHEMBL522770 | 10308 | 28 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 10.1021/jm900683d | |||
45487748 | 204529 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL571625 | 204529 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 560 | 12 | 1 | 9 | 4.2 | CCN1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
155532198 | 178519 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
CHEMBL4467241 | 178519 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1402 | 27 | 16 | 19 | -1.1 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b01601 | |||
44596967 | 203548 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL565388 | 203548 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 664 | 12 | 2 | 8 | 5.5 | COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC | 10.1021/jm900683d | |||
CHEMBL383996 | 219094 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)N1)C(=O)O | 10.1021/jm0602110 | |||||
CHEMBL501794 | 220924 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL509009 | 222021 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
CHEMBL504723 | 220961 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm900148c | |||||
44597069 | 204263 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
CHEMBL569923 | 204263 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 624 | 12 | 1 | 10 | 3.0 | CCN1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 | 10.1021/jm900683d | |||
44568309 | 197985 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 447 | 6 | 1 | 4 | 4.1 | CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
CHEMBL518949 | 197985 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 447 | 6 | 1 | 4 | 4.1 | CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2)C1 | 10.1016/j.bmcl.2008.06.019 | |||
11439 | 10068 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 603 | 8 | 0 | 8 | 1.0 | O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl | 32745605 | |||
155817517 | 10068 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 603 | 8 | 0 | 8 | 1.0 | O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl | 32745605 | |||
2161 | 6903 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12535707 | |||||
11995575 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 17628210 | |||||
11995575 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 18710417 | |||||
2156 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 17628210 | |||||
2156 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 18710417 | |||||
CHEMBL437110 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 17628210 | |||||
CHEMBL437110 | 10733 | 0 | None | - | 1 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 18710417 | |||||
2162 | 7436 | 0 | None | - | 1 | Human | 6.7 | pKd | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 12770925 | |||||
2166 | 10616 | 0 | None | - | 1 | Human | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 12535707 | |||||
24893978 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 18573659 | |||
8872 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 18573659 | |||
CHEMBL495075 | 7797 | 9 | None | 9 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 525 | 6 | 2 | 4 | 4.9 | Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl | 18573659 | |||
9439 | 7694 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 17125276 | |||||
2151 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 12408704 | |||
2151 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 15781415 | |||
9797568 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 12408704 | |||
9797568 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 15781415 | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 12408704 | |||
CHEMBL192359 | 7032 | 9 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 329 | 4 | 0 | 3 | 3.9 | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C | 15781415 | |||
10278166 | 10301 | 35 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 16171813 | |||
3531 | 10301 | 35 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 16171813 | |||
CHEMBL1164033 | 10301 | 35 | None | -2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 490 | 7 | 1 | 4 | 5.4 | CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C | 16171813 | |||
2164 | 10299 | 17 | None | 1 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 15936190 | |||
9846574 | 10299 | 17 | None | 1 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 15936190 | |||
CHEMBL366221 | 10299 | 17 | None | 1 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 449 | 9 | 1 | 4 | 4.3 | CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C | 15936190 | |||
134813899 | 9741 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 18082287 | |||||
9438 | 9741 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 18082287 | |||||
21023902 | 10308 | 28 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
2165 | 10308 | 28 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
CHEMBL522770 | 10308 | 28 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
2167 | 10720 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 14645137 | |||||
25126427 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 19731961 | |||
9437 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 19731961 | |||
CHEMBL567713 | 8922 | 9 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 598 | 12 | 1 | 8 | 4.4 | CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1 | 19731961 | |||
2153 | 10731 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10499587 | |||||
2153 | 10731 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10548501 | |||||
2153 | 10731 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10559967 | |||||
2153 | 10731 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10581185 | |||||
10213684 | 10707 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12238917 | |||||
2152 | 10707 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12238917 | |||||
CHEMBL414256 | 10707 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12238917 | |||||
2160 | 9816 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12238917 | |||||
21023902 | 10308 | 28 | None | -2 | 3 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
21023902 | 10308 | 28 | None | -2 | 3 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
2165 | 10308 | 28 | None | -2 | 3 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
2165 | 10308 | 28 | None | -2 | 3 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
CHEMBL522770 | 10308 | 28 | None | -2 | 3 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
CHEMBL522770 | 10308 | 28 | None | -2 | 3 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 538 | 7 | 1 | 6 | 4.4 | COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F | 15852036 | |||
2154 | 10732 | 0 | None | -1 | 3 | Mouse | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11976263 | |||||
2154 | 10732 | 0 | None | -1 | 3 | Mouse | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2155 | 10730 | 0 | None | -1 | 3 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2154 | 10732 | 0 | None | -1 | 3 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2153 | 10731 | 0 | None | -1 | 3 | Mouse | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11976263 | |||||
2153 | 10731 | 0 | None | -1 | 3 | Mouse | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2155 | 10730 | 0 | None | -1 | 3 | Mouse | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11976263 | |||||
2155 | 10730 | 0 | None | -1 | 3 | Mouse | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2153 | 10731 | 0 | None | 1 | 3 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2155 | 10730 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2154 | 10732 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15852036 | |||||
2159 | 7548 | 0 | None | - | 1 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12495432 |