Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
CHEMBL2165920 | 216112 | 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 | 204779 | 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 | 204779 | 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 | 204896 | 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 | 204896 | 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 | 204896 | 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 | 204636 | 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 | 204636 | 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 | 204636 | 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 | 221818 | 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 | 221818 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 205540 | 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 | 205540 | 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 | 205540 | 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 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
162648597 | 186538 | 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 | 186538 | 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 | 186538 | 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 | 186538 | 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 | 204752 | 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 | 204752 | 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 | 88884 | 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 | 88884 | 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 | 204727 | 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 | 204727 | 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 | 204727 | 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 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5094675 | 222288 | 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 | 187454 | 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 | 187454 | 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 | 187454 | 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 | 187454 | 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 | 222288 | 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 | 188709 | 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 | 188709 | 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 | 177288 | 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 | 177288 | 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 | 204751 | 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 | 204751 | 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 | 88884 | 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 | 88884 | 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 | 189368 | 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 | 189368 | 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 | 189368 | 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 | 189368 | 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 | 177288 | 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 | 177288 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 189730 | 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 | 189730 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 186620 | 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 | 189730 | 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 | 189730 | 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 | 190333 | 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 | 190333 | 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 | 190333 | 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 | 190333 | 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 | 221809 | 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 | 221809 | 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 | 187011 | 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 | 187011 | 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 | 187011 | 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 | 187011 | 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 | 204677 | 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 | 204677 | 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 | 9567 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
44542176 | 204727 | 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 | 204727 | 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 | 204727 | 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 | 190341 | 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 | 190341 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 188983 | 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 | 188983 | 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 | 88885 | 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 | 88885 | 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 | 189165 | 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 | 189165 | 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 | 189024 | 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 | 189024 | 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 | 176798 | 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 | 176798 | 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 | 176798 | 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 | 176798 | 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 | 189165 | 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 | 189165 | 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 | 189396 | 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 | 189396 | 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 | 189396 | 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 | 189396 | 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 | 222093 | 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 | 222093 | 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 | 188577 | 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 | 188577 | 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 | 188577 | 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 | 188577 | 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 | 88885 | 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 | 88885 | 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 | 9567 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
60168135 | 88885 | 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 | 88885 | 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 | 222035 | 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 | 218068 | 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 | 222035 | 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 | 190047 | 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 | 190047 | 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 | 190047 | 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 | 190047 | 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 | 186979 | 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 | 186979 | 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 | 204896 | 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 | 204896 | 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 | 204896 | 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 | 186979 | 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 | 186979 | 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 | 9567 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
123797 | 9567 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5082892 | 221609 | 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 | 221609 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2019.01.003 | ||||
44542322 | 204864 | 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 | 204864 | 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 | 205540 | 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 | 205540 | 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 | 205540 | 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 | 187791 | 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 | 187791 | 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 | 187791 | 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 | 187791 | 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 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
123797 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00694 | ||||
1486 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 221747 | 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 | 9567 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL5085455 | 221747 | 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 | 204673 | 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 | 204673 | 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 | 205540 | 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 | 205540 | 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 | 205540 | 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 | 189521 | 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 | 189521 | 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 | 189521 | 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 | 189521 | 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 | 217311 | 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 | 189757 | 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 | 189757 | 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 | 189757 | 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 | 189757 | 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 | 9567 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
1479 | 9567 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
CHEMBL429731 | 9567 | 25 | None | 5 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm300535s | ||||
44542176 | 204727 | 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 | 204727 | 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 | 204727 | 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 | 123292 | 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 | 123292 | 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 | 189101 | 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 | 189101 | 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 | 189101 | 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 | 189101 | 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 | 186227 | 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 | 186227 | 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 | 186227 | 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 | 186227 | 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 | 187989 | 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 | 187989 | 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 | 187989 | 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 | 187989 | 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 | 186762 | 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 | 186762 | 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 | 186762 | 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 | 186762 | 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 | 204971 | 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 | 204971 | 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 | 221722 | 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 | 221722 | 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 | 88885 | 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 | 88885 | 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 | 188562 | 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 | 188562 | 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 | 188562 | 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 | 188562 | 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 | 88885 | 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 | 88885 | 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 | 176798 | 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 | 176798 | 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 | 188440 | 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 | 188440 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 177288 | 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 | 177288 | 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 | 7027 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | Guide to Pharmacology | None | None | None | None | 20354177 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
44542328 | 204896 | 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 | 204896 | 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 | 204896 | 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 | 190107 | 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 | 190107 | 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 | 189600 | 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 | 189600 | 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 | 218355 | 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 | 190267 | 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 | 190267 | 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 | 205540 | 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 | 205540 | 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 | 205540 | 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 | 204636 | 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 | 204636 | 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 | 204636 | 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 | 204727 | 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 | 204727 | 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 | 204727 | 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 | 215609 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
16735569 | 149112 | 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 | 149112 | 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 | 186026 | 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 | 186026 | 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 | 8968 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
1283 | 8968 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
25240297 | 8968 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
CHEMBL376756 | 8968 | 36 | None | - | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/ml1002053 | ||||
123797 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
123797 | 9567 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c00643 | ||||
CHEMBL3786309 | 219042 | 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 | 9567 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
102080626 | 178074 | 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 | 178074 | 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 | 219897 | 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 | 219144 | 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 | 217560 | 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 | 220023 | 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 | 9567 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | ||||
1479 | 9567 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | ||||
CHEMBL429731 | 9567 | 25 | None | -1 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00047a005 | ||||
CHEMBL386065 | 219153 | 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 | 218160 | 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 | 218355 | 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 | 219606 | 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 | 219042 | 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 | 217487 | 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 | 218355 | 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 | 216112 | 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 | 219373 | 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 | 9567 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
1479 | 9567 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL429731 | 9567 | 25 | None | -5 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00256 | ||||
CHEMBL407343 | 219434 | 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 | 9567 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
162662402 | 188709 | 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 | 188709 | 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 | 219155 | 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 | 123219 | 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 | 123219 | 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 | 221724 | 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 | 90923 | 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 | 90923 | 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 | 143909 | 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 | 143909 | 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 | 143909 | 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 | 190267 | 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 | 190267 | 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 | 204727 | 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 | 204727 | 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 | 204727 | 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 | 123287 | 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 | 123287 | 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 | 90920 | 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 | 90920 | 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 | 222542 | 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 | 217962 | 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 | 90919 | 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 | 90919 | 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 | 90925 | 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 | 90925 | 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 | 7886 | 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 | 7886 | 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 | 7886 | 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 | 190363 | 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 | 190363 | 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 | 221131 | 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 | 222194 | 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 | 218068 | 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 | 123291 | 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 | 123291 | 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 | 221680 | 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 | 90932 | 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 | 90932 | 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 | 123273 | 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 | 123273 | 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 | 90924 | 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 | 90924 | 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 | 188782 | 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 | 188782 | 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 | 222069 | 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 | 123220 | 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 | 123220 | 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 | 221577 | 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 | 90923 | 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 | 90923 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 188536 | 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 | 188536 | 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 | 123276 | 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 | 123276 | 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 | 219897 | 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 | 190341 | 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 | 190341 | 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 | 215292 | 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 | 90317 | 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 | 90317 | 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 | 222034 | 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 | 123294 | 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 | 123294 | 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 | 90938 | 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 | 90938 | 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 | 90927 | 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 | 90927 | 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 | 90924 | 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 | 90924 | 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 | 90942 | 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 | 90942 | 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 | 221742 | 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 | 123271 | 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 | 123271 | 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 | 90921 | 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 | 90921 | 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 | 216112 | 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 | 123274 | 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 | 123274 | 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 | 218068 | 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 | 218068 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 188440 | 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 | 188440 | 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 | 221045 | 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 | 122298 | 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 | 122298 | 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 | 145986 | 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 | 145986 | 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 | 145986 | 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 | 222069 | 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 | 123284 | 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 | 123284 | 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 | 123223 | 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 | 123223 | 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 | 190267 | 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 | 190267 | 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 | 123269 | 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 | 123269 | 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 | 123285 | 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 | 123285 | 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 | 219897 | 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 | 222223 | 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 | 217511 | 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 | 123292 | 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 | 123292 | 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 | 220027 | 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 | 123221 | 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 | 123221 | 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 | 221250 | 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 | 123277 | 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 | 123277 | 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 | 90930 | 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 | 90930 | 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 | 123270 | 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 | 123270 | 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 | 215281 | 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 | 123286 | 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 | 123286 | 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 | 123281 | 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 | 123281 | 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 | 189802 | 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 | 189802 | 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 | 90931 | 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 | 90931 | 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 | 90940 | 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 | 90940 | 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 | 123275 | 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 | 123275 | 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 | 123280 | 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 | 123280 | 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 | 145987 | 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 | 145987 | 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 | 145987 | 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 | 90936 | 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 | 90936 | 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 | 90926 | 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 | 90926 | 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 | 90929 | 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 | 90929 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 221742 | 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 | 218042 | 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 | 123290 | 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 | 123290 | 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 | 99723 | 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 | 99723 | 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 | 123283 | 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 | 123283 | 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 | 90928 | 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 | 90928 | 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 | 221938 | 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 | 222101 | 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 | 123289 | 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 | 123289 | 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 | 221889 | 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 | 221167 | 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 | 221949 | 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 | 188642 | 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 | 188642 | 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 | 90939 | 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 | 90939 | 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 | 217311 | 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 | 221575 | 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 | 215369 | 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 | 123222 | 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 | 123222 | 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 | 90934 | 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 | 90934 | 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 | 221131 | 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 | 123218 | 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 | 123218 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 123224 | 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 | 123224 | 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 | 123293 | 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 | 123293 | 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 | 188440 | 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 | 188440 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 221570 | 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 | 123282 | 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 | 123282 | 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 | 148238 | 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 | 148238 | 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 | 123279 | 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 | 123279 | 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 | 90933 | 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 | 90933 | 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 | 188536 | 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 | 188536 | 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 | 123295 | 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 | 123295 | 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 | 90941 | 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 | 90941 | 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 | 218041 | 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 | 90935 | 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 | 90935 | 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 | 123278 | 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 | 123278 | 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 | 123272 | 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 | 123272 | 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 | 7886 | 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 | 7886 | 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 | 7886 | 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 | 8235 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 16129413 | ||||
4016 | 10098 | 0 | None | -28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
4016 | 10098 | 0 | None | -28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1482 | 10900 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
1482 | 10900 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
155817415 | 10900 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
155817415 | 10900 | 0 | None | -25 | 2 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1478 | 8315 | 0 | None | 199 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
123797 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | ||||
123797 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | ||||
1479 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | ||||
CHEMBL429731 | 9567 | 25 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1485 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 7418 | 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 | 10096 | 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 | 10096 | 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 | 10096 | 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 | 9778 | 0 | None | 707 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
1480 | 9778 | 0 | None | 707 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11325787 | ||||
132709 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
132709 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
132709 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 | ||||
1477 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11024015 | ||||
1477 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12242085 | ||||
1477 | 6821 | 0 | None | 3 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12421602 |