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 |
CHEMBL2165920 | 209333 | 29 | None | 21 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm300535s | ||||
44542324 | 198000 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 242 | 3 | 3 | 3 | 2.1 | Cc1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
CHEMBL573738 | 198000 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 242 | 3 | 3 | 3 | 2.1 | Cc1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
44542328 | 198117 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
CHEMBL4785076 | 198117 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
CHEMBL574565 | 198117 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/jm9011998 | ||
9573348 | 197857 | 6 | None | 14 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL3982697 | 197857 | 6 | None | 14 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL572531 | 197857 | 6 | None | 14 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL5086601 | 215039 | 0 | None | -3 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5086601 | 215039 | 0 | None | -3 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
1485 | 631 | 31 | None | -20 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
3474 | 631 | 31 | None | -20 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
5311023 | 631 | 31 | None | -20 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
CHEMBL332347 | 631 | 31 | None | -20 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
44542178 | 198761 | 6 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
CHEMBL4794542 | 198761 | 6 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
CHEMBL583068 | 198761 | 6 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm300535s | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
162648597 | 179759 | 0 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4744365 | 179759 | 0 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162648597 | 179759 | 0 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4744365 | 179759 | 0 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542332 | 197973 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 309 | 3 | 3 | 3 | 2.5 | Cn1c(/C=N/NC(=N)N)ccc1-c1ccccc1C(F)(F)F | 10.1021/jm9011998 | ||
CHEMBL573519 | 197973 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 309 | 3 | 3 | 3 | 2.5 | Cn1c(/C=N/NC(=N)N)ccc1-c1ccccc1C(F)(F)F | 10.1021/jm9011998 | ||
60168134 | 82109 | 0 | None | 3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
CHEMBL2165921 | 82109 | 0 | None | 3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
44542176 | 197948 | 4 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm9011998 | ||
CHEMBL4784123 | 197948 | 4 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm9011998 | ||
CHEMBL573297 | 197948 | 4 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm9011998 | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5094675 | 215509 | 0 | None | 1 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162654268 | 180675 | 0 | None | 1 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4755334 | 180675 | 0 | None | 1 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162654268 | 180675 | 0 | None | 1 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4755334 | 180675 | 0 | None | 1 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1126 | 33 | 15 | 14 | -3.7 | CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL5094675 | 215509 | 0 | None | 1 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162662402 | 181930 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 5.6 | COc1cc2c(c(OC)c1OC)-c1c(cc(C)c(C)c1OC)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4779743 | 181930 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 5.6 | COc1cc2c(c(OC)c1OC)-c1c(cc(C)c(C)c1OC)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | ||
155520785 | 170509 | 0 | None | 2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4449491 | 170509 | 0 | None | 2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
44542330 | 197972 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 3 | 3 | 3 | 3.3 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)s1 | 10.1021/jm9011998 | ||
CHEMBL573518 | 197972 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 3 | 3 | 3 | 3.3 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)s1 | 10.1021/jm9011998 | ||
60168134 | 82109 | 0 | None | 3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
CHEMBL2165921 | 82109 | 0 | None | 3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 374 | 3 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 | 10.1021/jm300535s | ||
162668843 | 182589 | 0 | None | 2 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4788060 | 182589 | 0 | None | 2 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162668843 | 182589 | 0 | None | 2 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4788060 | 182589 | 0 | None | 2 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
155520785 | 170509 | 0 | None | 2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4449491 | 170509 | 0 | None | 2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
162647830 | 179841 | 0 | None | 1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4745148 | 179841 | 0 | None | 1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
162647830 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4745148 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162670764 | 182951 | 0 | None | -6 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4792870 | 182951 | 0 | None | -6 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162647830 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4745148 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162647830 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4745148 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162647830 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4745148 | 179841 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1112 | 32 | 15 | 14 | -3.9 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162670764 | 182951 | 0 | None | -6 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4792870 | 182951 | 0 | None | -6 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1041 | 29 | 14 | 13 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162677056 | 183554 | 0 | None | -2 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4800237 | 183554 | 0 | None | -2 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162677056 | 183554 | 0 | None | -2 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4800237 | 183554 | 0 | None | -2 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL5086463 | 215030 | 0 | None | 2 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5086463 | 215030 | 0 | None | 2 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162651091 | 180232 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4750006 | 180232 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162651091 | 180232 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4750006 | 180232 | 0 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1116 | 23 | 14 | 15 | -2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542326 | 197898 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 270 | 4 | 3 | 3 | 2.9 | CC(C)c1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
CHEMBL572825 | 197898 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 270 | 4 | 3 | 3 | 2.9 | CC(C)c1ccccc1-c1ccc(/C=N/NC(=N)N)o1 | 10.1021/jm9011998 | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
44542176 | 197948 | 4 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
CHEMBL4784123 | 197948 | 4 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
CHEMBL573297 | 197948 | 4 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/jm300535s | ||
162677256 | 183562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 518 | 6 | 1 | 7 | 5.1 | COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)CC3)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4800299 | 183562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 518 | 6 | 1 | 7 | 5.1 | COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)CC3)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | ||
1485 | 631 | 31 | None | -20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
3474 | 631 | 31 | None | -20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
5311023 | 631 | 31 | None | -20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
CHEMBL332347 | 631 | 31 | None | -20 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm300535s | ||
102270377 | 182204 | 0 | None | -23988 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4782986 | 182204 | 0 | None | -23988 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 576 | 12 | 7 | 6 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
60168135 | 82110 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 82110 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
162666603 | 182386 | 0 | None | -2 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4785222 | 182386 | 0 | None | -2 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162666625 | 182245 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1228 | 33 | 14 | 14 | -1.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4783555 | 182245 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1228 | 33 | 14 | 14 | -1.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||
155515973 | 170019 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4442534 | 170019 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
155515973 | 170019 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4442534 | 170019 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
162666603 | 182386 | 0 | None | -2 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4785222 | 182386 | 0 | None | -2 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1128 | 33 | 16 | 15 | -5.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162668623 | 182617 | 0 | None | -5 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4788431 | 182617 | 0 | None | -5 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162668623 | 182617 | 0 | None | -5 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4788431 | 182617 | 0 | None | -5 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL5091560 | 215314 | 0 | None | -6 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5091560 | 215314 | 0 | None | -6 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
162643991 | 181798 | 0 | None | -13 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777999 | 181798 | 0 | None | -13 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162643991 | 181798 | 0 | None | -13 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777999 | 181798 | 0 | None | -13 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1126 | 32 | 14 | 14 | -3.6 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
60168135 | 82110 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 82110 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
60168135 | 82110 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 82110 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL5090298 | 215256 | 0 | None | -4 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL326770 | 211289 | 5 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL5090298 | 215256 | 0 | None | -4 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
132941097 | 183268 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4796596 | 183268 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
132941097 | 183268 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4796596 | 183268 | 0 | None | -7 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1055 | 29 | 13 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162651571 | 180200 | 0 | None | -2 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4749564 | 180200 | 0 | None | -2 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
44542328 | 198117 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4785076 | 198117 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL574565 | 198117 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | ||
162651571 | 180200 | 0 | None | -2 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4749564 | 180200 | 0 | None | -2 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
123797 | 2791 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5082892 | 214830 | 0 | None | -3 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5082892 | 214830 | 0 | None | -3 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
1486 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
53320361 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
123797 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
44542322 | 198085 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 278 | 2 | 3 | 2 | 2.6 | C/C(=N\NC(=N)N)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm9011998 | ||
CHEMBL574353 | 198085 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 278 | 2 | 3 | 2 | 2.6 | C/C(=N\NC(=N)N)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm9011998 | ||
44542178 | 198761 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4794542 | 198761 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL583068 | 198761 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | ||
162658841 | 181012 | 0 | None | 2 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4759079 | 181012 | 0 | None | 2 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162658841 | 181012 | 0 | None | 2 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4759079 | 181012 | 0 | None | 2 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1172 | 35 | 15 | 15 | -3.2 | CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
123797 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1486 | 3323 | 28 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
53320361 | 3323 | 28 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/jm300535s | ||||
CHEMBL5085455 | 214968 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
123797 | 2791 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5085455 | 214968 | 0 | None | -1 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
9707420 | 197894 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 244 | 2 | 2 | 2 | 2.0 | C/C(=N\N=C(N)N)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL572766 | 197894 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 244 | 2 | 2 | 2 | 2.0 | C/C(=N\N=C(N)N)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
44542178 | 198761 | 6 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm9011998 | ||
CHEMBL4794542 | 198761 | 6 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm9011998 | ||
CHEMBL583068 | 198761 | 6 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/jm9011998 | ||
162669476 | 182742 | 0 | None | -20 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1055 | 29 | 14 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4790011 | 182742 | 0 | None | -20 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1055 | 29 | 14 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162669476 | 182742 | 0 | None | -20 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1055 | 29 | 14 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4790011 | 182742 | 0 | None | -20 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 1055 | 29 | 14 | 13 | -3.2 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL262202 | 210532 | 26 | None | 77 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | ||||
162670510 | 182978 | 0 | None | -30 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4793250 | 182978 | 0 | None | -30 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162670510 | 182978 | 0 | None | -30 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4793250 | 182978 | 0 | None | -30 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
123797 | 2791 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 2791 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 2791 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
44542176 | 197948 | 4 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4784123 | 197948 | 4 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL573297 | 197948 | 4 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | ||
101882820 | 116514 | 0 | None | 4 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
CHEMBL3361433 | 116514 | 0 | None | 4 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | ||
162665640 | 182322 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4784329 | 182322 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162665640 | 182322 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4784329 | 182322 | 0 | None | -11 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1097 | 31 | 14 | 13 | -2.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162644880 | 179448 | 0 | None | -9 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4740521 | 179448 | 0 | None | -9 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162644880 | 179448 | 0 | None | -9 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4740521 | 179448 | 0 | None | -9 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162659824 | 181210 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4761246 | 181210 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162659824 | 181210 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4761246 | 181210 | 0 | None | -4 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162649206 | 179983 | 0 | None | -30 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4746919 | 179983 | 0 | None | -30 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
162649206 | 179983 | 0 | None | -30 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
CHEMBL4746919 | 179983 | 0 | None | -30 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1118 | 31 | 16 | 15 | -3.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c01367 | ||
44542320 | 198192 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 3 | 2 | 3.2 | N=C(N)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL575058 | 198192 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 306 | 3 | 3 | 2 | 3.2 | N=C(N)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 | 10.1021/jm9011998 | ||
CHEMBL5085013 | 214943 | 0 | None | 1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL5085013 | 214943 | 0 | None | 1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1 | 10.1021/acs.jmedchem.1c00694 | ||||
60168135 | 82110 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 82110 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
162643968 | 181783 | 0 | None | -2 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777803 | 181783 | 0 | None | -2 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
162643968 | 181783 | 0 | None | -2 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
CHEMBL4777803 | 181783 | 0 | None | -2 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1115 | 32 | 14 | 14 | -2.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.6b01181 | ||
60168135 | 82110 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
CHEMBL2165922 | 82110 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 220 | 2 | 3 | 2 | 1.7 | N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2 | 10.1021/jm300535s | ||
155515973 | 170019 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4442534 | 170019 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
102509168 | 181661 | 0 | None | -18 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
CHEMBL4776204 | 181661 | 0 | None | -18 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | ||
1486 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
53320361 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmc.2019.01.003 | ||||
155520785 | 170509 | 0 | None | 2 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
CHEMBL4449491 | 170509 | 0 | None | 2 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1165 | 30 | 12 | 11 | 2.7 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmc.2019.01.003 | ||
4020 | 239 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | None | None | None | None | 20354177 |
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 |
44542328 | 198117 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4785076 | 198117 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL574565 | 198117 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 296 | 3 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 | 10.1021/acs.jmedchem.0c00643 | |||
162676940 | 183328 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 897 | 23 | 13 | 10 | -1.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4797394 | 183328 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 897 | 23 | 13 | 10 | -1.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | |||
155461914 | 182821 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1014 | 25 | 10 | 10 | 2.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4790994 | 182821 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1014 | 25 | 10 | 10 | 2.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL3360830 | 211576 | 0 | None | 6 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | |||||
9942758 | 183488 | 2 | None | -11 | 4 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4799458 | 183488 | 2 | None | -11 | 4 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
44542178 | 198761 | 6 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4794542 | 198761 | 6 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL583068 | 198761 | 6 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 264 | 2 | 3 | 2 | 2.2 | N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c00643 | |||
9573348 | 197857 | 6 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL3982697 | 197857 | 6 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL572531 | 197857 | 6 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 230 | 2 | 3 | 2 | 1.8 | N=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.0c00643 | |||
44542176 | 197948 | 4 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4784123 | 197948 | 4 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL573297 | 197948 | 4 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL1672379 | 208830 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | |||||
16735569 | 142334 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 798 | 21 | 10 | 7 | 1.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | |||
CHEMBL388586 | 142334 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 798 | 21 | 10 | 7 | 1.3 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | |||
25138123 | 179247 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 781 | 21 | 9 | 6 | 2.9 | CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | |||
CHEMBL472833 | 179247 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 781 | 21 | 9 | 6 | 2.9 | CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml1002053 | |||
1281 | 2187 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | |||||
1283 | 2187 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | |||||
25240297 | 2187 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | |||||
CHEMBL376756 | 2187 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL3786309 | 212263 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
102080626 | 171295 | 0 | None | 107 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1377 | 39 | 15 | 16 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4460742 | 171295 | 0 | None | 107 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1377 | 39 | 15 | 16 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL414263 | 213118 | 5 | None | 2 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL385751 | 212365 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL269186 | 210781 | 12 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL420318 | 213244 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
123797 | 2791 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | |||||
1479 | 2791 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | |||||
CHEMBL429731 | 2791 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | |||||
CHEMBL386065 | 212374 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL331606 | 211381 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL3360830 | 211576 | 0 | None | 6 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | |||||
CHEMBL410577 | 212827 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL3786309 | 212263 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||||
CHEMBL266976 | 210708 | 0 | None | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
CHEMBL3360830 | 211576 | 0 | None | 6 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm500989n | |||||
CHEMBL2165920 | 209333 | 29 | None | -10 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL406041 | 212594 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
123797 | 2791 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
1479 | 2791 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL429731 | 2791 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL407343 | 212655 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
162662402 | 181930 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 520 | 6 | 1 | 7 | 5.6 | COc1cc2c(c(OC)c1OC)-c1c(cc(C)c(C)c1OC)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4779743 | 181930 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 520 | 6 | 1 | 7 | 5.6 | COc1cc2c(c(OC)c1OC)-c1c(cc(C)c(C)c1OC)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL386133 | 212376 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
101882818 | 116441 | 0 | None | -309 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 451 | 11 | 6 | 5 | 1.8 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360832 | 116441 | 0 | None | -309 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 451 | 11 | 6 | 5 | 1.8 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL5085023 | 214945 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
71456101 | 84148 | 0 | None | -60 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208303 | 84148 | 0 | None | -60 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
127041327 | 137131 | 0 | None | -2754 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | |||
CHEMBL3746851 | 137131 | 0 | None | -2754 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | |||
CHEMBL3747820 | 137131 | 0 | None | -2754 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | |||
9942758 | 183488 | 2 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4799458 | 183488 | 2 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
44542176 | 197948 | 4 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4784123 | 197948 | 4 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL573297 | 197948 | 4 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 2 | 3 | 2 | 2.0 | N=C(N)N/N=C/c1ccc(Br)c(Br)c1 | 10.1021/acs.jmedchem.0c00643 | |||
118724989 | 116509 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1021/jm500989n | |||
CHEMBL3361429 | 116509 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1021/jm500989n | |||
71457908 | 84145 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 463 | 11 | 7 | 4 | 0.7 | N=C(N)NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208296 | 84145 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 463 | 11 | 7 | 4 | 0.7 | N=C(N)NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL574566 | 215763 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | None | None | None | CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cccc12 | 10.1021/jm000512o | |||||
CHEMBL3144155 | 211183 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CN(C)c1cccc2c(S(=O)(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cccc12 | 10.1021/jm000512o | |||||
71463271 | 84144 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 11 | 6 | 4 | 1.4 | N=C(N)NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208294 | 84144 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 11 | 6 | 4 | 1.4 | N=C(N)NCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
71454352 | 84150 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208305 | 84150 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
101882819 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | |||
11235 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | |||
CHEMBL3361425 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 10.1021/jm500989n | |||
162676733 | 183584 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.8 | CCCCCOC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4800557 | 183584 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 444 | 11 | 1 | 5 | 4.8 | CCCCCOC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL5074999 | 214352 | 0 | None | -199 | 3 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL5093184 | 215415 | 0 | None | -38 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL326770 | 211289 | 5 | None | 1 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
118724992 | 116513 | 0 | None | -4 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 9 | 5 | 6 | 1.5 | COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(=N)N)(Nc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
CHEMBL3361432 | 116513 | 0 | None | -4 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 9 | 5 | 6 | 1.5 | COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(=N)N)(Nc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
CHEMBL5084208 | 214901 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
71457910 | 84157 | 0 | None | -30 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208320 | 84157 | 0 | None | -30 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
136948074 | 116495 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
CHEMBL3361414 | 116495 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
71456102 | 84149 | 0 | None | -23 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208304 | 84149 | 0 | None | -23 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
162663612 | 182003 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 523 | 11 | 1 | 7 | 4.8 | COc1ccc(CN[C@H]2C[C@@H](C(=O)OCCc3ccc([N+](=O)[O-])cc3)N(Cc3ccccc3Cl)C2)cc1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4780551 | 182003 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 523 | 11 | 1 | 7 | 4.8 | COc1ccc(CN[C@H]2C[C@@H](C(=O)OCCc3ccc([N+](=O)[O-])cc3)N(Cc3ccccc3Cl)C2)cc1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL5091013 | 215290 | 0 | None | -114 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724539 | 116442 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 465 | 12 | 6 | 5 | 1.9 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360833 | 116442 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 465 | 12 | 6 | 5 | 1.9 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL5082273 | 214798 | 0 | None | -30 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
71456101 | 84148 | 0 | None | -60 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||
CHEMBL2208303 | 84148 | 0 | None | -60 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||
1486 | 3323 | 28 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | |||||
53320361 | 3323 | 28 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.1c00256 | |||||
9920663 | 181757 | 7 | None | -26 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4777535 | 181757 | 7 | None | -26 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | |||
118724978 | 116498 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.4 | N=C(N)NCC(=O)NCC1(NCc2ccccc2)CCCN(Cc2ccccc2)C1 | 10.1021/jm500989n | |||
CHEMBL3361417 | 116498 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.4 | N=C(N)NCC(=O)NCC1(NCc2ccccc2)CCCN(Cc2ccccc2)C1 | 10.1021/jm500989n | |||
CHEMBL414263 | 213118 | 5 | None | 2 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
162677256 | 183562 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 518 | 6 | 1 | 7 | 5.1 | COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)CC3)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4800299 | 183562 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 518 | 6 | 1 | 7 | 5.1 | COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)CC3)[C@@H](C(=O)Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL116185 | 208513 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
71461185 | 83542 | 0 | None | -10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2204019 | 83542 | 0 | None | -10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL5090293 | 215255 | 0 | None | -47 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724994 | 116516 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361435 | 116516 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
71463276 | 84163 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 12 | 6 | 5 | 0.3 | COc1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208334 | 84163 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 12 | 6 | 5 | 0.3 | COc1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 | 10.1016/j.bmcl.2012.10.049 | |||
71463273 | 84152 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208307 | 84152 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
71456102 | 84149 | 0 | None | -23 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||
CHEMBL2208304 | 84149 | 0 | None | -23 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 12 | 6 | 4 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||
71463279 | 84167 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208340 | 84167 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL5085324 | 214963 | 0 | None | -165 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724973 | 116493 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 636 | 11 | 4 | 7 | 5.8 | CC(C)(C)OC(=O)/N=C(\NCCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | |||
CHEMBL3361412 | 116493 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 636 | 11 | 4 | 7 | 5.8 | CC(C)(C)OC(=O)/N=C(\NCCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | |||
71450762 | 84146 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208299 | 84146 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2165920 | 209333 | 29 | None | -10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
136998790 | 116496 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 670 | 9 | 4 | 7 | 6.7 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(CC(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
CHEMBL3361415 | 116496 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 670 | 9 | 4 | 7 | 6.7 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(CC(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm500989n | |||
CHEMBL326770 | 211289 | 5 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL326770 | 211289 | 5 | None | 1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
1485 | 631 | 31 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
3474 | 631 | 31 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
5311023 | 631 | 31 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
CHEMBL332347 | 631 | 31 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
102509168 | 181661 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | |||
CHEMBL4776204 | 181661 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | |||
CHEMBL5071745 | 214266 | 0 | None | -42 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724972 | 115520 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 622 | 10 | 4 | 7 | 5.4 | CC(C)(C)OC(=O)/N=C(/NCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | |||
CHEMBL3352907 | 115520 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 622 | 10 | 4 | 7 | 5.4 | CC(C)(C)OC(=O)/N=C(/NCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C | 10.1021/jm500989n | |||
127030941 | 139208 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1480 | 43 | 20 | 18 | -3.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN/C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
CHEMBL3786583 | 139208 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1480 | 43 | 20 | 18 | -3.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN/C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
CHEMBL3787714 | 139208 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1480 | 43 | 20 | 18 | -3.6 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN/C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
CHEMBL5091013 | 215290 | 0 | None | -186 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724986 | 116506 | 0 | None | 5 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 304 | 6 | 6 | 4 | -0.2 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCNCC1 | 10.1021/jm500989n | |||
CHEMBL3361426 | 116506 | 0 | None | 5 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 304 | 6 | 6 | 4 | -0.2 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCNCC1 | 10.1021/jm500989n | |||
118724543 | 116445 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 351 | 7 | 4 | 3 | 2.7 | N=C(N)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360837 | 116445 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 351 | 7 | 4 | 3 | 2.7 | N=C(N)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
9942758 | 183488 | 2 | None | -11 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4799458 | 183488 | 2 | None | -11 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 234 | 1 | 3 | 2 | 2.5 | Cc1cc(NC(=N)N)nc2ccc(Cl)cc12 | 10.1021/acs.jmedchem.0c00643 | |||
118724970 | 116491 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 2.1 | N=C(N)NCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361410 | 116491 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 2.1 | N=C(N)NCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
118724987 | 116507 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 8 | 5 | 4 | 2.1 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361427 | 116507 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 8 | 5 | 4 | 2.1 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 | 10.1021/jm500989n | |||
CHEMBL414263 | 213118 | 5 | None | -5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL5093771 | 215444 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1Br)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL267788 | 210732 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
101882820 | 116514 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361433 | 116514 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 8 | 4 | 3 | 3.3 | N=C(N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL420508 | 213248 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
118724540 | 116443 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 501 | 11 | 6 | 5 | 3.0 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360834 | 116443 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 501 | 11 | 6 | 5 | 3.0 | N=C(N)NCCC[C@H](N)C(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | |||
CHEMBL5076959 | 214471 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724979 | 116499 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361418 | 116499 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
71463275 | 84155 | 0 | None | -11 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208317 | 84155 | 0 | None | -11 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
118724971 | 116492 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 5 | 3.8 | CC(C)(C)OC(=O)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361411 | 116492 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 5 | 3.8 | CC(C)(C)OC(=O)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL115479 | 208502 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
118724988 | 116508 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.8 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361428 | 116508 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 9 | 5 | 4 | 1.8 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 | 10.1021/jm500989n | |||
118724983 | 116503 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 379 | 7 | 4 | 3 | 1.8 | N=C(N)NCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361422 | 116503 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 379 | 7 | 4 | 3 | 1.8 | N=C(N)NCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
162673140 | 183023 | 0 | None | -37 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 2.3 | NC1=NC=C(c2ccc(Cl)c(Cl)c2)CN1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4793841 | 183023 | 0 | None | -37 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 2.3 | NC1=NC=C(c2ccc(Cl)c(Cl)c2)CN1 | 10.1021/acs.jmedchem.0c00643 | |||
71457909 | 84156 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208319 | 84156 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 514 | 13 | 6 | 4 | 1.8 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
71463278 | 84165 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208338 | 84165 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
118724977 | 116497 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361416 | 116497 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 394 | 8 | 5 | 4 | 1.7 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
118724982 | 116502 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 8 | 5 | 4 | 3.0 | N=C(N)NCC(=O)NCC1(Nc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361421 | 116502 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 462 | 8 | 5 | 4 | 3.0 | N=C(N)NCC(=O)NCC1(Nc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
127030366 | 139209 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1536 | 45 | 20 | 18 | -3.0 | CCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
CHEMBL3786376 | 139209 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1536 | 45 | 20 | 18 | -3.0 | CCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
CHEMBL3787715 | 139209 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1536 | 45 | 20 | 18 | -3.0 | CCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.5b01495 | |||
71454359 | 84161 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208326 | 84161 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
71454353 | 84151 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208306 | 84151 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 482 | 11 | 6 | 4 | 1.2 | N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
71452593 | 84154 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208316 | 84154 | 0 | None | -12 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 438 | 12 | 6 | 4 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
1486 | 3323 | 28 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | |||||
53320361 | 3323 | 28 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | |||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1016/j.bmcl.2012.10.049 | |||||
CHEMBL5085324 | 214963 | 0 | None | -323 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL325517 | 211263 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
118724991 | 116512 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 8 | 5 | 4 | 2.5 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc(Br)cc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361431 | 116512 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 472 | 8 | 5 | 4 | 2.5 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc(Br)cc2)CC1 | 10.1021/jm500989n | |||
9869458 | 92948 | 5 | None | -38 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL2440929 | 92948 | 5 | None | -38 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.0c00643 | |||
118724985 | 116505 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 9 | 4 | 3 | 2.5 | N=C(N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361424 | 116505 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 9 | 4 | 3 | 2.5 | N=C(N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
71456103 | 84153 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 11 | 6 | 5 | 0.8 | N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208312 | 84153 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 475 | 11 | 6 | 5 | 0.8 | N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL5088429 | 215159 | 0 | None | -70 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL5091693 | 215322 | 0 | None | -36 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724990 | 116511 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361430 | 116511 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 5 | 4 | 2.9 | N=C(N)NCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1021/jm500989n | |||
CHEMBL5087609 | 215110 | 0 | None | -16 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL5075638 | 214388 | 0 | None | -85 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL5088703 | 215170 | 0 | None | -35 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
72194631 | 181863 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 483 | 11 | 2 | 3 | 5.1 | O=C(N[C@@H](CCCN1CCCCC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4778746 | 181863 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 483 | 11 | 2 | 3 | 5.1 | O=C(N[C@@H](CCCN1CCCCC1)C(=O)NCCc1ccccc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.0c00643 | |||
71463277 | 84164 | 0 | None | -1819 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208337 | 84164 | 0 | None | -1819 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL262202 | 210532 | 26 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL5082270 | 214796 | 0 | None | -75 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C=C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
CHEMBL117975 | 208590 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
118724542 | 116444 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 337 | 6 | 4 | 3 | 2.6 | N=C(N)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360836 | 116444 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 337 | 6 | 4 | 3 | 2.6 | N=C(N)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
71454357 | 84159 | 0 | None | -6 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208323 | 84159 | 0 | None | -6 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL5074999 | 214352 | 0 | None | -100 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724536 | 116440 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | |||
CHEMBL3360829 | 116440 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 481 | 11 | 5 | 4 | 2.3 | CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm500989n | |||
1486 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | |||||
53320361 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | |||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 10.1021/acs.jmedchem.0c00643 | |||||
118724544 | 116446 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 9 | 5 | 4 | 0.6 | N=C(N)NCCC[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3360838 | 116446 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 360 | 9 | 5 | 4 | 0.6 | N=C(N)NCCC[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
118724993 | 116515 | 0 | None | 5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 8 | 4 | 3 | 3.4 | N=C(N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361434 | 116515 | 0 | None | 5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 8 | 4 | 3 | 3.4 | N=C(N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
102509168 | 181661 | 0 | None | -14 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | |||
CHEMBL4776204 | 181661 | 0 | None | -14 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.1c00256 | |||
1485 | 631 | 31 | None | -39 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
3474 | 631 | 31 | None | -39 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
5311023 | 631 | 31 | None | -39 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
CHEMBL332347 | 631 | 31 | None | -39 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | |||
CHEMBL5082175 | 214791 | 0 | None | -8 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1Br)C(N)=O | 10.1021/acs.jmedchem.1c00256 | |||||
118724984 | 116504 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 8 | 4 | 3 | 2.1 | N=C(N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361423 | 116504 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 8 | 4 | 3 | 2.1 | N=C(N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
132122 | 141460 | 7 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1082 | 32 | 12 | 12 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm000512o | |||
CHEMBL384262 | 141460 | 7 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1082 | 32 | 12 | 12 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm000512o | |||
118724981 | 116501 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 9 | 5 | 5 | 1.7 | COc1cccc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | |||
CHEMBL3361420 | 116501 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 9 | 5 | 5 | 1.7 | COc1cccc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | |||
71456104 | 84158 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208322 | 84158 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
9920663 | 181757 | 7 | None | -12 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | |||
CHEMBL4777535 | 181757 | 7 | None | -12 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 200 | 1 | 3 | 2 | 1.8 | Cc1cc(NC(=N)N)nc2ccccc12 | 10.1021/acs.jmedchem.0c00643 | |||
118724995 | 116517 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 9 | 4 | 3 | 3.8 | N=C(N)NCC(=O)NCC1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
CHEMBL3361436 | 116517 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 9 | 4 | 3 | 3.8 | N=C(N)NCC(=O)NCC1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2ccccc2)CC1 | 10.1021/jm500989n | |||
9955930 | 84166 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208339 | 84166 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 424 | 11 | 6 | 4 | 0.3 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL325290 | 211262 | 1 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@H](NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00047a005 | |||||
71454358 | 84160 | 0 | None | -46 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
CHEMBL2208325 | 84160 | 0 | None | -46 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmcl.2012.10.049 | |||
118724980 | 116500 | 0 | None | -8 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 10 | 5 | 6 | 1.8 | COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1 | 10.1021/jm500989n | |||
CHEMBL3361419 | 116500 | 0 | None | -8 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 10 | 5 | 6 | 1.8 | COc1cc(NC2(CNC(=O)CNC(=N)N)CCN(Cc3ccccc3)CC2)cc(OC)c1 | 10.1021/jm500989n | |||
136998789 | 116494 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | |||
CHEMBL3361413 | 116494 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 656 | 8 | 4 | 7 | 6.8 | CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)c1 | 10.1021/jm500989n | |||
101882819 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | |||
11235 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | |||
CHEMBL3361425 | 1101 | 0 | None | -17 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 394 | 8 | 5 | 4 | 1.7 | NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1 | 25268943 | |||
1489 | 1453 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 16129413 | |||||
4016 | 3325 | 0 | None | -28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
4016 | 3325 | 0 | None | -28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
1482 | 4128 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
1482 | 4128 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
155817415 | 4128 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
155817415 | 4128 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
1478 | 1533 | 0 | None | 199 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | |||||
123797 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | |||||
1479 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | |||||
CHEMBL429731 | 2791 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
1485 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | |||
1485 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11325787 | |||
3474 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | |||
3474 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11325787 | |||
5311023 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | |||
5311023 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11325787 | |||
CHEMBL332347 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11024015 | |||
CHEMBL332347 | 631 | 31 | None | -39 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 11325787 | |||
1486 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | |||||
53320361 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | |||||
CHEMBL1672380 | 3323 | 28 | None | -1 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3 | 16407169 | |||||
1480 | 3000 | 0 | None | 707 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | |||||
1480 | 3000 | 0 | None | 707 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | |||||
132709 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | |||||
132709 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
132709 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | |||||
1477 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | |||||
1477 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | |||||
1477 | 32 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 |