Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL2371966 | 210163 | 0 | None | 616 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
118722937 | 116238 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358545 | 116238 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722941 | 116242 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358549 | 116242 | 0 | None | 1 | 4 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722933 | 116235 | 0 | None | 1 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358541 | 116235 | 0 | None | 1 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
118722944 | 116245 | 0 | None | -1 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358552 | 116245 | 0 | None | -1 | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL414965 | 213166 | 0 | None | -1 | 5 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
118722930 | 116233 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358539 | 116233 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL405087 | 212541 | 0 | None | -1 | 5 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL406842 | 212624 | 0 | None | 3 | 5 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
CHEMBL413212 | 213055 | 0 | None | -6 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
127036484 | 136445 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735690 | 136445 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL410404 | 212819 | 0 | None | 11 | 5 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
118722926 | 116230 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358535 | 116230 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
118722931 | 116234 | 0 | None | 1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358540 | 116234 | 0 | None | 1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
118722938 | 116239 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358546 | 116239 | 0 | None | -1 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
127036484 | 136445 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735690 | 136445 | 0 | None | -2 | 4 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 1024 | 17 | 14 | 11 | -1.0 | CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00684 | ||||
CHEMBL411400 | 212883 | 0 | None | 48 | 5 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O | 10.1021/jm030452x | ||||
118722942 | 116243 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358550 | 116243 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
118722943 | 116244 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358551 | 116244 | 0 | None | -1 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1034 | 17 | 13 | 13 | -1.1 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1323 | 2688 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
92432 | 2688 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL430239 | 2688 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44310104 | 81588 | 0 | None | -7 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1040 | 16 | 13 | 13 | -1.5 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL216295 | 81588 | 0 | None | -7 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1040 | 16 | 13 | 13 | -1.5 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL2371851 | 210139 | 0 | None | -3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0490843 | ||||
CHEMBL405335 | 212556 | 0 | None | 2 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
118722927 | 116231 | 0 | None | 1 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358536 | 116231 | 0 | None | 1 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
122194229 | 123983 | 0 | None | -7 | 5 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3629347 | 123983 | 0 | None | -7 | 5 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.10.095 | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
1323 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
92432 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL430239 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
1323 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
92432 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL430239 | 2688 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.5b00053 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL408843 | 212735 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
118722932 | 115518 | 0 | None | 1 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3352878 | 115518 | 0 | None | 1 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 33 | 13 | 11 | 1.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL2371969 | 210166 | 0 | None | 1000 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0614275 | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
122194229 | 123983 | 0 | None | -7 | 5 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||
CHEMBL3629347 | 123983 | 0 | None | -7 | 5 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1646 | 50 | 23 | 21 | -4.1 | CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL2371971 | 210168 | 0 | None | 1288 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](c2ccccc2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL501592 | 214141 | 0 | None | 37 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
134463477 | 159252 | 0 | None | 3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 977 | 11 | 12 | 11 | -1.9 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4099127 | 159252 | 0 | None | 3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 977 | 11 | 12 | 11 | -1.9 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
45487403 | 197435 | 0 | None | -33 | 5 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 788 | 22 | 9 | 7 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC1=CN=CC1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569693 | 197435 | 0 | None | -33 | 5 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 788 | 22 | 9 | 7 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC1=CN=CC1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
118722936 | 116237 | 0 | None | -3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358544 | 116237 | 0 | None | -3 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(nn2)CCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL2371962 | 210159 | 0 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL267794 | 210733 | 0 | None | -11 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2003.08.078 | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
CHEMBL307457 | 210981 | 0 | None | 10 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL266417 | 210683 | 0 | None | -12 | 6 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010524p | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0303608 | ||||
CHEMBL2371967 | 210164 | 0 | None | 275 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | ||||
134466953 | 156658 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1153 | 14 | 13 | 12 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4069451 | 156658 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1153 | 14 | 13 | 12 | -1.3 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
90643803 | 111743 | 0 | None | 1 | 5 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 898 | 18 | 9 | 7 | 0.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287323 | 111743 | 0 | None | 1 | 5 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 898 | 18 | 9 | 7 | 0.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL386081 | 212375 | 0 | None | -25 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL429236 | 213516 | 0 | None | -21 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm010061n | ||||
10886436 | 119157 | 0 | None | 1 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL342954 | 119157 | 0 | None | 1 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/acs.jmedchem.0c02041 | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2015.09.046 | ||||
CHEMBL410763 | 212838 | 0 | None | -14 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL2369484 | 209627 | 0 | None | -2 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)N[C@H](C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
CHEMBL411378 | 212881 | 0 | None | 16 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | Cc1nc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC2=O)c[nH]1 | 10.1021/jm030452x | ||||
44310344 | 97329 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
77231883 | 97329 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
CHEMBL269274 | 97329 | 0 | None | -3 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4414 | 53 | 53 | 68 | -9.9 | CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4 | 10.1021/jm0303608 | ||
10078903 | 68019 | 0 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 769 | 24 | 9 | 7 | 1.8 | CCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL191303 | 68019 | 0 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 769 | 24 | 9 | 7 | 1.8 | CCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL264536 | 210627 | 5 | None | -13 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm010061n | ||||
90643806 | 111746 | 0 | None | 6 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 728 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287326 | 111746 | 0 | None | 6 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 728 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL428801 | 213472 | 0 | None | -12 | 5 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
101670969 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
16131138 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
44349184 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
53310908 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
91898438 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL438402 | 168896 | 23 | None | -1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1623 | 49 | 22 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0490843 | ||||
122184910 | 122555 | 0 | None | 2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601428 | 122555 | 0 | None | 2 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm00018a005 | ||||
90643802 | 111742 | 0 | None | 2 | 5 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 820 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287322 | 111742 | 0 | None | 2 | 5 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 820 | 14 | 5 | 8 | 1.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
11158573 | 71119 | 0 | None | -2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 783 | 25 | 9 | 7 | 2.1 | CCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL195439 | 71119 | 0 | None | -2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 783 | 25 | 9 | 7 | 2.1 | CCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
137637283 | 155980 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4061566 | 155980 | 0 | None | -2 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 984 | 15 | 12 | 10 | -0.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL2371968 | 210165 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
CHEMBL2371970 | 210167 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C2CCCCC2)NC1=O | 10.1021/jm0614275 | ||||
90643808 | 111747 | 0 | None | 7 | 5 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 747 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287328 | 111747 | 0 | None | 7 | 5 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 747 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
122184635 | 122434 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600916 | 122434 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
90643804 | 111744 | 0 | None | 2 | 5 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 839 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287324 | 111744 | 0 | None | 2 | 5 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 839 | 16 | 7 | 8 | 1.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1021/jm500064t | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0492756 | ||||
CHEMBL2096742 | 209206 | 0 | None | 1 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | ||||
CHEMBL428615 | 213460 | 0 | None | -70 | 5 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
155553683 | 174183 | 0 | None | -4 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4547556 | 174183 | 0 | None | -4 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL1688107 | 208834 | 0 | None | -8 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL491870 | 214077 | 0 | None | -3 | 5 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL2371963 | 210160 | 0 | None | 295 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | ||||
CHEMBL500743 | 214124 | 0 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL322610 | 211234 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
155555217 | 174337 | 0 | None | 6 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550976 | 174337 | 0 | None | 6 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
118722939 | 116240 | 0 | None | -3 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358547 | 116240 | 0 | None | -3 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL2370966 | 209969 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
118722940 | 116241 | 0 | None | -2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358548 | 116241 | 0 | None | -2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(nn2)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358537 | 211568 | 0 | None | -7 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C#CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||||
145976863 | 163758 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4205548 | 163758 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL503229 | 214163 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm801300c | ||||
CHEMBL443071 | 213920 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
118722935 | 116236 | 0 | None | -1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
CHEMBL3358543 | 116236 | 0 | None | -1 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1048 | 17 | 13 | 13 | -0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(nn2)CCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm501027w | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
11787684 | 70274 | 0 | None | -3 | 4 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 811 | 27 | 9 | 7 | 2.9 | CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL194217 | 70274 | 0 | None | -3 | 4 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 811 | 27 | 9 | 7 | 2.9 | CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL3752534 | 212216 | 1 | None | -25 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | ||||
10483153 | 60811 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761873 | 60811 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
49862377 | 15041 | 0 | None | -40 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209320 | 15041 | 0 | None | -40 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | ||
137632948 | 156582 | 0 | None | -4 | 2 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4068643 | 156582 | 0 | None | -4 | 2 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44401319 | 12282 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184826 | 12282 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028959 | 12282 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL407213 | 212648 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
155555947 | 174512 | 0 | None | -77 | 3 | Mouse | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 592 | 14 | 7 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4555150 | 174512 | 0 | None | -77 | 3 | Mouse | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 592 | 14 | 7 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
11017471 | 31917 | 0 | None | -295 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 | 10.1021/jm025539h | ||
CHEMBL140738 | 31917 | 0 | None | -295 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 | 10.1021/jm025539h | ||
44448629 | 167463 | 0 | None | -91 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL429854 | 167463 | 0 | None | -91 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL50056 | 214119 | 2 | None | -8 | 7 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL50056 | 214119 | 2 | None | -8 | 7 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
164621851 | 185861 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4867949 | 185861 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
45487296 | 197325 | 0 | None | -8 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 635 | 18 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568836 | 197325 | 0 | None | -8 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 635 | 18 | 8 | 7 | 0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
45487416 | 197017 | 0 | None | -9 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567039 | 197017 | 0 | None | -9 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL3600833 | 211814 | 0 | None | -9 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
137633806 | 156481 | 0 | None | -38 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4067491 | 156481 | 0 | None | -38 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1031 | 14 | 14 | 13 | -2.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
155563055 | 175295 | 0 | None | -2 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 686 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4573041 | 175295 | 0 | None | -2 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 686 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL319871 | 211224 | 0 | None | 2 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2323791 | 209517 | 0 | None | 4 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
44441637 | 94049 | 0 | None | -4 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 506 | 7 | 2 | 4 | 4.3 | CC(C)C1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248892 | 94049 | 0 | None | -4 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 506 | 7 | 2 | 4 | 4.3 | CC(C)C1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
44441685 | 94132 | 0 | None | -4 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249322 | 94132 | 0 | None | -4 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 585 | 7 | 3 | 5 | 3.5 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL319922 | 211225 | 0 | None | 1 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2448525 | 210499 | 0 | None | -177 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL102391 | 208455 | 0 | None | 2 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487404 | 197436 | 0 | None | -2344 | 5 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 603 | 18 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569694 | 197436 | 0 | None | -2344 | 5 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 603 | 18 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44408388 | 140323 | 0 | None | -45 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380635 | 140323 | 0 | None | -45 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
155547842 | 173696 | 0 | None | -50 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 741 | 17 | 10 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4535510 | 173696 | 0 | None | -50 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 741 | 17 | 10 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44448479 | 155371 | 0 | None | -9 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL403420 | 155371 | 0 | None | -9 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
44310242 | 156309 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932912 | 156309 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL406550 | 156309 | 0 | None | 16 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL2323529 | 209510 | 0 | None | -1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
168285801 | 191481 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5193501 | 191481 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | ||
164623712 | 185657 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 537 | 13 | 3 | 3 | 5.3 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4864765 | 185657 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 537 | 13 | 3 | 3 | 5.3 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
11061068 | 31292 | 0 | None | -295 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | ||
CHEMBL140154 | 31292 | 0 | None | -295 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm025539h | ||
45487407 | 196968 | 0 | None | -7 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccccc1/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566545 | 196968 | 0 | None | -7 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccccc1/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
155561743 | 175772 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4583714 | 175772 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155566298 | 175793 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4584189 | 175793 | 0 | None | 3 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
164624151 | 185798 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866885 | 185798 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626157 | 186392 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4875776 | 186392 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137653704 | 158633 | 0 | None | -3 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4092424 | 158633 | 0 | None | -3 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 838 | 18 | 8 | 7 | 2.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155550338 | 174308 | 0 | None | -18 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 17 | 10 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550246 | 174308 | 0 | None | -18 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 17 | 10 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2369131 | 209593 | 0 | None | -3 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
137638778 | 156758 | 0 | None | -81 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4070639 | 156758 | 0 | None | -81 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1053 | 18 | 14 | 15 | -2.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
145966490 | 164362 | 0 | None | -3 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212762 | 164362 | 0 | None | -3 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
145975465 | 163949 | 0 | None | -23 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 825 | 11 | 12 | 9 | -1.6 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4207725 | 163949 | 0 | None | -23 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 825 | 11 | 12 | 9 | -1.6 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
164623811 | 185900 | 0 | None | 1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 4 | 4 | 6.2 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4868636 | 185900 | 0 | None | 1 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 4 | 4 | 6.2 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
155538472 | 173251 | 0 | None | 2 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4524668 | 173251 | 0 | None | 2 | 3 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL427629 | 213357 | 0 | None | 1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
54584302 | 60812 | 0 | None | -53 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1761874 | 60812 | 0 | None | -53 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
44401315 | 12281 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184825 | 12281 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028957 | 12281 | 0 | None | -48 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
90661465 | 77162 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028958 | 77162 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2078649 | 77162 | 0 | None | -46 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 693 | 9 | 5 | 6 | 4.0 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3CC3)CN2)CC1.CC(F)(F)C(=O)O | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2304247 | 209484 | 0 | None | -229 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL589515 | 215800 | 0 | None | -2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmc.2009.12.010 | ||||
46885368 | 7956 | 0 | None | -13 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 4.8 | CCCCN1C[C@H](c2ccc(F)cc2F)[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)C1 | 10.1021/jm9017866 | ||
CHEMBL1090484 | 7956 | 0 | None | -13 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 3 | 4.8 | CCCCN1C[C@H](c2ccc(F)cc2F)[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)C1 | 10.1021/jm9017866 | ||
44305885 | 203088 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 474 | 13 | 4 | 4 | 3.5 | NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL63867 | 203088 | 0 | None | 1 | 2 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 474 | 13 | 4 | 4 | 3.5 | NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
122184911 | 122556 | 0 | None | -8 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601429 | 122556 | 0 | None | -8 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00318-4 | ||||
164610489 | 184555 | 0 | None | 1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 600 | 10 | 4 | 4 | 5.8 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4848322 | 184555 | 0 | None | 1 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 600 | 10 | 4 | 4 | 5.8 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL228194 | 209453 | 0 | None | -12 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
46885863 | 8472 | 0 | None | -41 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 446 | 3 | 1 | 3 | 3.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1093858 | 8472 | 0 | None | -41 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 446 | 3 | 1 | 3 | 3.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL3601431 | 211827 | 0 | None | 1 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
122184575 | 122427 | 0 | None | -2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600836 | 122427 | 0 | None | -2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
51350911 | 58804 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53322399 | 58804 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932357 | 58804 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688109 | 58804 | 0 | None | -2 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL602651 | 215818 | 0 | None | -1 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
162671821 | 182903 | 0 | None | 3 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4792291 | 182903 | 0 | None | 3 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
137648053 | 157539 | 0 | None | 3 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 934 | 12 | 11 | 10 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4080169 | 157539 | 0 | None | 3 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 934 | 12 | 11 | 10 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL343094 | 211697 | 0 | None | 1 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
16725559 | 94989 | 0 | None | -1230 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254757 | 94989 | 0 | None | -1230 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
164613912 | 184761 | 0 | None | 6 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 12 | 3 | 3 | 4.9 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4851040 | 184761 | 0 | None | 6 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 12 | 3 | 3 | 4.9 | CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
137640475 | 157087 | 0 | None | -36 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4074368 | 157087 | 0 | None | -36 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
46232220 | 201054 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602652 | 201054 | 0 | None | -4 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
45487295 | 197374 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 617 | 18 | 8 | 7 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569221 | 197374 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 617 | 18 | 8 | 7 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44448590 | 95599 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL257759 | 95599 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL432895 | 213635 | 4 | None | 1 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL3601426 | 211826 | 0 | None | -17 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL3600832 | 211813 | 0 | None | -3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL2371965 | 210162 | 0 | None | 331 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
132180597 | 156171 | 0 | None | -23 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4063911 | 156171 | 0 | None | -23 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.02.068 | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2004.10.020 | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL451423 | 213968 | 0 | None | -1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
145964017 | 164041 | 0 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 915 | 11 | 12 | 9 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4208874 | 164041 | 0 | None | -10 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 915 | 11 | 12 | 9 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
10146211 | 64329 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL181162 | 64329 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 649 | 10 | 2 | 6 | 3.6 | CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
44347221 | 16635 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL124169 | 16635 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
9852256 | 175367 | 0 | None | -4 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 15 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4574756 | 175367 | 0 | None | -4 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 15 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
164609931 | 184497 | 0 | None | 3 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 529 | 12 | 3 | 3 | 5.6 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4847357 | 184497 | 0 | None | 3 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 529 | 12 | 3 | 3 | 5.6 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
44457021 | 97901 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL272439 | 97901 | 0 | None | -9 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
44441646 | 154088 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL398487 | 154088 | 0 | None | -23 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 9 | 2 | 7 | 3.7 | Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487288 | 197356 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 623 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(F)cc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569076 | 197356 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 623 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(F)cc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
46885815 | 7860 | 0 | None | -389 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 471 | 3 | 1 | 4 | 4.2 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
CHEMBL1089830 | 7860 | 0 | None | -389 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 471 | 3 | 1 | 4 | 4.2 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
145964837 | 164347 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212629 | 164347 | 0 | None | -3 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
137656489 | 159710 | 0 | None | 1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1125 | 13 | 13 | 12 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4104402 | 159710 | 0 | None | 1 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1125 | 13 | 13 | 12 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
162666503 | 182230 | 0 | None | -16 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4783292 | 182230 | 0 | None | -16 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
155558348 | 175036 | 0 | None | 5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 677 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4567480 | 175036 | 0 | None | 5 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 677 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
132180653 | 175059 | 0 | None | -17 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4567961 | 175059 | 0 | None | -17 | 3 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 15 | 8 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL420167 | 213242 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
CHEMBL427205 | 213352 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
164624627 | 185879 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 4 | 4.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4868223 | 185879 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 4 | 4.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44431512 | 145924 | 0 | None | -5 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
CHEMBL391796 | 145924 | 0 | None | -5 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | ||
46885759 | 8276 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | ||
CHEMBL1092548 | 8276 | 0 | None | -295 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 | 10.1021/jm9017866 | ||
164628926 | 186513 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 543 | 14 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877537 | 186513 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 543 | 14 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL3349030 | 211405 | 0 | None | -8 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
71449119 | 78968 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 643 | 7 | 3 | 6 | 4.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNCCN2C(=O)OC(C)(C)C)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2113028 | 78968 | 0 | None | -117 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 643 | 7 | 3 | 6 | 4.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNCCN2C(=O)OC(C)(C)C)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
155538874 | 172790 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 713 | 16 | 8 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4513460 | 172790 | 0 | None | 1 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 713 | 16 | 8 | 7 | -1.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
137649203 | 157508 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 894 | 18 | 8 | 8 | 3.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4079721 | 157508 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 894 | 18 | 8 | 8 | 3.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487289 | 197361 | 0 | None | -10 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 590 | 17 | 8 | 7 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569104 | 197361 | 0 | None | -10 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 590 | 17 | 8 | 7 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2304250 | 209486 | 0 | None | -2 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
CHEMBL431242 | 213624 | 0 | None | 1 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
45487408 | 196854 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C\C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565927 | 196854 | 0 | None | -5 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C\C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
164616640 | 184565 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 543 | 13 | 3 | 3 | 6.0 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4848447 | 184565 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 543 | 13 | 3 | 3 | 6.0 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL268851 | 210769 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||||
71449047 | 78480 | 0 | None | -40 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2111807 | 78480 | 0 | None | -40 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44401323 | 11800 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1181891 | 11800 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028961 | 11800 | 0 | None | -72 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 4 | 5 | 3.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
6918813 | 131371 | 3 | None | -398 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL368876 | 131371 | 3 | None | -398 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
45487291 | 197373 | 0 | None | -6 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C(F)=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569220 | 197373 | 0 | None | -6 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C(F)=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
11328898 | 7960 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1090488 | 7960 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1204059 | 7960 | 22 | None | -165 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 4.8 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
44441687 | 94005 | 0 | None | -43 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.3 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3(C)CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248671 | 94005 | 0 | None | -43 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.3 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3(C)CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
44396986 | 67432 | 0 | None | -43 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL188966 | 67432 | 0 | None | -43 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL2304246 | 209483 | 0 | None | -3 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
145971389 | 164633 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216242 | 164633 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
15603023 | 97964 | 0 | None | 1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL272660 | 97964 | 0 | None | 1 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm701303z | ||||
CHEMBL444219 | 213930 | 0 | None | -4 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
127046235 | 139638 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1004 | 36 | 12 | 13 | -1.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3797690 | 139638 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1004 | 36 | 12 | 13 | -1.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
137656180 | 159028 | 0 | None | 5 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1005 | 12 | 12 | 11 | -2.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4096678 | 159028 | 0 | None | 5 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1005 | 12 | 12 | 11 | -2.0 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
155543031 | 173181 | 0 | None | -3 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4522298 | 173181 | 0 | None | -3 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL406891 | 212626 | 0 | None | 2 | 5 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
CHEMBL1688107 | 208834 | 0 | None | -8 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||||
1325 | 3600 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
6440621 | 3600 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
9898183 | 3600 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3422426 | 3600 | 14 | None | -3 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3287327 | 211310 | 0 | None | 1 | 5 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||||
44400428 | 125677 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 35 | 9 | 7 | 6.1 | CCCCCCCCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL364726 | 125677 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 35 | 9 | 7 | 6.1 | CCCCCCCCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
44422999 | 168855 | 0 | None | 4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
CHEMBL438118 | 168855 | 0 | None | 4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||
CHEMBL502093 | 214149 | 0 | None | -2 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1324 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16154396 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16197727 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
44285019 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
57514683 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
91898441 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL441738 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
DB04931 | 302 | 25 | None | -5 | 9 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL370254 | 212166 | 3 | None | 6 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm0490843 | ||||
11263053 | 68020 | 0 | None | -3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 33 | 9 | 7 | 5.3 | CCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL191304 | 68020 | 0 | None | -3 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 896 | 33 | 9 | 7 | 5.3 | CCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL448536 | 213959 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
11423083 | 96839 | 0 | None | -3 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 882 | 32 | 9 | 7 | 4.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL265236 | 96839 | 0 | None | -3 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 882 | 32 | 9 | 7 | 4.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
145948876 | 167483 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL4299441 | 167483 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
44456964 | 156690 | 0 | None | -1 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL406985 | 156690 | 0 | None | -1 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 12 | 10 | 8 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL204864 | 209166 | 0 | None | -4 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | ||||
137651071 | 157467 | 0 | None | -25 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4079298 | 157467 | 0 | None | -25 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 15 | 7 | 6 | 1.3 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL438920 | 213809 | 0 | None | -26 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL433645 | 213643 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||||
CHEMBL409636 | 212773 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm030119t | ||||
CHEMBL375947 | 212232 | 0 | None | -1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155512534 | 169692 | 0 | None | -22 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 642 | 16 | 7 | 6 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4437801 | 169692 | 0 | None | -22 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 642 | 16 | 7 | 6 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL320157 | 211226 | 0 | None | 1 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
44391940 | 12250 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1184624 | 12250 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145456 | 12250 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 614 | 8 | 4 | 6 | 2.1 | C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
46203215 | 8470 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1093856 | 8470 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1204065 | 8470 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 428 | 3 | 1 | 3 | 3.6 | C[C@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
44305712 | 102814 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 421 | 11 | 5 | 3 | 2.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305391 | 102814 | 0 | None | -1 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 421 | 11 | 5 | 3 | 2.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
44359732 | 29075 | 0 | None | -2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 720 | 19 | 3 | 6 | 2.6 | CC(=O)N(CC(=O)N(CC(=O)N(CCCCN=C(N)N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL138100 | 29075 | 0 | None | -2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 720 | 19 | 3 | 6 | 2.6 | CC(=O)N(CC(=O)N(CC(=O)N(CCCCN=C(N)N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
164616687 | 184624 | 0 | None | 11 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 523 | 13 | 3 | 3 | 5.0 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4849344 | 184624 | 0 | None | 11 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 523 | 13 | 3 | 3 | 5.0 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL2323793 | 209519 | 0 | None | -27 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
44335147 | 4592 | 0 | None | 4 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL102688 | 4592 | 0 | None | 4 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL524861 | 215623 | 0 | None | 3 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
54587278 | 60818 | 0 | None | -138 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
CHEMBL1762009 | 60818 | 0 | None | -138 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | ||
137639815 | 156802 | 0 | None | -3 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 847 | 20 | 11 | 8 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4071063 | 156802 | 0 | None | -3 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 847 | 20 | 11 | 8 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
6918780 | 63467 | 1 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 3.6 | CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL179836 | 63467 | 1 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 3.6 | CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.01.060 | ||
44347220 | 168440 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL434985 | 168440 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL2370965 | 209968 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
CHEMBL607104 | 215828 | 0 | None | 2 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164621664 | 185567 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 537 | 14 | 3 | 3 | 5.4 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863313 | 185567 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 537 | 14 | 3 | 3 | 5.4 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CCCC(C)C | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL454736 | 213997 | 0 | None | 4 | 2 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL50056 | 214119 | 2 | None | -8 | 7 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
44347331 | 16327 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16327 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
44441641 | 94301 | 0 | None | -134 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL250508 | 94301 | 0 | None | -134 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 603 | 8 | 2 | 7 | 4.0 | Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL3350327 | 211470 | 0 | None | -13 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
44310258 | 159418 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932908 | 159418 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL410091 | 159418 | 0 | None | 2 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL500516 | 214117 | 0 | None | -1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
45487413 | 197251 | 0 | None | -1 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 616 | 15 | 10 | 7 | -0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568409 | 197251 | 0 | None | -1 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 616 | 15 | 10 | 7 | -0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44445083 | 154305 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398665 | 154305 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
164609002 | 184385 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4845749 | 184385 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
9808720 | 64222 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL180892 | 64222 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
45487287 | 197649 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 633 | 17 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL570903 | 197649 | 0 | None | -3 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 633 | 17 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2c1OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
46232224 | 201056 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602654 | 201056 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
45487300 | 197359 | 0 | None | -7 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 605 | 15 | 8 | 8 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569086 | 197359 | 0 | None | -7 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 605 | 15 | 8 | 8 | -0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
122184637 | 122436 | 0 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600918 | 122436 | 0 | None | -1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
155565321 | 175576 | 0 | None | -7 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4579448 | 175576 | 0 | None | -7 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 718 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
44347331 | 16327 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL122773 | 16327 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | ||
CHEMBL509582 | 215546 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
44401585 | 13763 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1195347 | 13763 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL554368 | 13763 | 0 | None | -19 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
15953833 | 78974 | 0 | None | -57 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
CHEMBL2113037 | 78974 | 0 | None | -57 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | ||
155548791 | 173730 | 0 | None | -30 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4536340 | 173730 | 0 | None | -30 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 664 | 14 | 6 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
162670795 | 182826 | 0 | None | -14 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4791112 | 182826 | 0 | None | -14 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 696 | 15 | 7 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
137649368 | 157406 | 0 | None | -35 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4078495 | 157406 | 0 | None | -35 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44441644 | 154838 | 0 | None | -66 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL400456 | 154838 | 0 | None | -66 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL2310901 | 209498 | 0 | None | -20 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL455070 | 213999 | 0 | None | -25 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | ||||
44457067 | 97742 | 0 | None | -5 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 877 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL271586 | 97742 | 0 | None | -5 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 877 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
162654633 | 180644 | 0 | None | -29 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4754987 | 180644 | 0 | None | -29 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
137636060 | 156231 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4064728 | 156231 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
44335147 | 4592 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL102688 | 4592 | 0 | None | 4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 711 | 16 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm010524p | ||
CHEMBL3350396 | 211479 | 0 | None | -371 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
CHEMBL376614 | 212252 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL2323790 | 209516 | 0 | None | -8 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137653916 | 158580 | 0 | None | -3 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 828 | 18 | 9 | 8 | 1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4091894 | 158580 | 0 | None | -3 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 828 | 18 | 9 | 8 | 1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155567887 | 176048 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 676 | 19 | 10 | 7 | -1.1 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4590532 | 176048 | 0 | None | -1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 676 | 19 | 10 | 7 | -1.1 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL263878 | 210598 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
CHEMBL3349030 | 211405 | 0 | None | -8 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
44392015 | 12778 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1187982 | 12778 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL3216179 | 12778 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
1338 | 3807 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
9938402 | 3807 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
CHEMBL339053 | 3807 | 43 | None | -660 | 8 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/s0960-894x(03)00796-0 | ||
155545201 | 173447 | 0 | None | -1 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 602 | 14 | 6 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4529287 | 173447 | 0 | None | -1 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 602 | 14 | 6 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
10864861 | 115200 | 4 | None | -128 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm025539h | ||
CHEMBL334457 | 115200 | 4 | None | -128 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm025539h | ||
45487411 | 197045 | 0 | None | -10 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567240 | 197045 | 0 | None | -10 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL266417 | 210683 | 0 | None | -776 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL2370963 | 209966 | 0 | None | 85 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
44408190 | 96923 | 0 | None | -46 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL265985 | 96923 | 0 | None | -46 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
10257242 | 15030 | 0 | None | -42 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209252 | 15030 | 0 | None | -42 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL430843 | 213621 | 0 | None | 2 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
122178163 | 121257 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)c2cc3ccccc3cc2NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||
CHEMBL3577992 | 121257 | 0 | None | -2 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 998 | 10 | 10 | 10 | 0.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)c2cc3ccccc3cc2NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | ||
155554244 | 174949 | 0 | None | -15 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 630 | 15 | 8 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4565607 | 174949 | 0 | None | -15 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 630 | 15 | 8 | 7 | -0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44305763 | 203086 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 3.1 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCC(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL63850 | 203086 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 3.1 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCC(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2323786 | 209512 | 0 | None | -2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/s0960-894x(03)00796-0 | ||||
137646614 | 157538 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 822 | 18 | 9 | 7 | 0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4080138 | 157538 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 822 | 18 | 9 | 7 | 0.9 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
46232222 | 201055 | 0 | None | -4 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 835 | 12 | 8 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602653 | 201055 | 0 | None | -4 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 835 | 12 | 8 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44441648 | 154691 | 0 | None | -41 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL399715 | 154691 | 0 | None | -41 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 605 | 8 | 2 | 8 | 2.9 | Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
137635422 | 155910 | 0 | None | -72 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4060816 | 155910 | 0 | None | -72 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1111 | 22 | 15 | 16 | -2.3 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||||
90643805 | 111745 | 0 | None | -1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
CHEMBL3287325 | 111745 | 0 | None | -1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||
155544214 | 173331 | 0 | None | 1 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 797 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4526652 | 173331 | 0 | None | 1 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 797 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155549760 | 173877 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4539621 | 173877 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155550083 | 173914 | 0 | None | 5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4540411 | 173914 | 0 | None | 5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 775 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
11308957 | 69393 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 868 | 31 | 9 | 7 | 4.5 | CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL193151 | 69393 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 868 | 31 | 9 | 7 | 4.5 | CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||||
127047475 | 139749 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
132991507 | 139749 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3798421 | 139749 | 0 | None | 1 | 5 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1630 | 54 | 21 | 19 | -1.2 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL439128 | 213825 | 0 | None | 1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
CHEMBL3358533 | 211567 | 0 | None | -7 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C#CC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL393075 | 212462 | 0 | None | -20 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2007.02.020 | ||||
11239907 | 133127 | 0 | None | -5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 854 | 30 | 9 | 7 | 4.1 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL370261 | 133127 | 0 | None | -5 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 854 | 30 | 9 | 7 | 4.1 | CCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
155564058 | 175334 | 0 | None | -16 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4574056 | 175334 | 0 | None | -16 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 746 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
162673830 | 183159 | 0 | None | -15 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4795352 | 183159 | 0 | None | -15 | 3 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL2370964 | 209967 | 0 | None | -10 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL4299619 | 213595 | 0 | None | 2 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL2370964 | 209967 | 0 | None | -10 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL264190 | 210608 | 1 | None | -3 | 8 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||||
127047913 | 139924 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 962 | 35 | 12 | 13 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799563 | 139924 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 962 | 35 | 12 | 13 | -1.5 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164612516 | 185393 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860714 | 185393 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL510687 | 215587 | 0 | None | -3 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
155556047 | 174497 | 0 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4554828 | 174497 | 0 | None | 1 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 683 | 16 | 8 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL203602 | 209160 | 0 | None | 1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | ||||
155531140 | 171618 | 0 | None | 1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 666 | 16 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
CHEMBL4465466 | 171618 | 0 | None | 1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 666 | 16 | 8 | 7 | 0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||
44401530 | 12795 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188092 | 12795 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL535152 | 12795 | 0 | None | -51 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
44347119 | 114423 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
CHEMBL333178 | 114423 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | ||
45487405 | 197437 | 0 | None | -25 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 587 | 16 | 8 | 6 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569695 | 197437 | 0 | None | -25 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 587 | 16 | 8 | 6 | 0.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
51350673 | 58800 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53317148 | 58800 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932362 | 58800 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688104 | 58800 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
44305790 | 102840 | 0 | None | -1 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305559 | 102840 | 0 | None | -1 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
45487294 | 196813 | 0 | None | -3 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 601 | 17 | 8 | 6 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565688 | 196813 | 0 | None | -3 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 601 | 17 | 8 | 6 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2371973 | 210170 | 0 | None | 57 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | ||||
162661724 | 181535 | 0 | None | 2 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4765199 | 181535 | 0 | None | 2 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
162664463 | 182190 | 0 | None | 4 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4782762 | 182190 | 0 | None | 4 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
46232223 | 199164 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589468 | 199164 | 0 | None | -1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 9 | 8 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL302703 | 210914 | 0 | None | 5 | 5 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
46232228 | 201023 | 0 | None | 3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 863 | 12 | 8 | 8 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602299 | 201023 | 0 | None | 3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 863 | 12 | 8 | 8 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44456958 | 97404 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL269837 | 97404 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 4 | 1 | 2 | 2.8 | CCCN1C(=O)C(Cc2ccccc2)NC(=O)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL104880 | 208465 | 0 | None | 1 | 2 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44305704 | 203337 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL64954 | 203337 | 0 | None | -1 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 10 | 5 | 3 | 2.4 | NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
44275650 | 94054 | 0 | None | -83 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 953 | 15 | 12 | 10 | -0.8 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
CHEMBL24892 | 94054 | 0 | None | -83 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 953 | 15 | 12 | 10 | -0.8 | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1016/s0960-894x(03)00114-8 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
137645483 | 157618 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 906 | 11 | 11 | 10 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4081092 | 157618 | 0 | None | 1 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 906 | 11 | 11 | 10 | -1.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
44391927 | 13991 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1196971 | 13991 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL3216393 | 13991 | 0 | None | -66 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
53318436 | 58803 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 814 | 17 | 10 | 9 | -0.4 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688108 | 58803 | 0 | None | -2 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 814 | 17 | 10 | 9 | -0.4 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N([C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101425m | ||
CHEMBL103817 | 208459 | 0 | None | -2 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44408286 | 140668 | 0 | None | -117 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381501 | 140668 | 0 | None | -117 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
137658359 | 159571 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 791 | 20 | 11 | 7 | -1.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4102774 | 159571 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 791 | 20 | 11 | 7 | -1.0 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL488355 | 214075 | 0 | None | -3 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
164619151 | 185554 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 610 | 11 | 4 | 4 | 5.5 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863206 | 185554 | 0 | None | -1 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 610 | 11 | 4 | 4 | 5.5 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44401522 | 12784 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188041 | 12784 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL534928 | 12784 | 0 | None | -97 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 585 | 8 | 4 | 5 | 3.5 | CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
44391938 | 11746 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1181567 | 11746 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145455 | 11746 | 0 | None | -20 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 599 | 9 | 3 | 5 | 3.9 | CC(C)CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
45487417 | 197044 | 0 | None | -8 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C/C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567233 | 197044 | 0 | None | -8 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 617 | 17 | 8 | 7 | 0.1 | COc1ccc(/C=C/C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(=N)N)C(N)=O)cc1 | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL602650 | 215817 | 0 | None | 2 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
16157270 | 212553 | 14 | None | -22 | 7 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL405282 | 212553 | 14 | None | -22 | 7 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/acs.jmedchem.5b01894 | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL2323799 | 209525 | 0 | None | -22 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
46232225 | 201082 | 0 | None | 4 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 8 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602852 | 201082 | 0 | None | 4 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 849 | 12 | 8 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
46885761 | 8028 | 0 | None | -56 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 506 | 3 | 1 | 3 | 5.1 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1F | 10.1021/jm9017866 | ||
CHEMBL1090813 | 8028 | 0 | None | -56 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 506 | 3 | 1 | 3 | 5.1 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1F | 10.1021/jm9017866 | ||
CHEMBL441988 | 213905 | 4 | None | 162 | 2 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
162665266 | 182181 | 0 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4782693 | 182181 | 0 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 668 | 14 | 5 | 6 | 1.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL389674 | 212433 | 0 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm9017866 | ||||
CHEMBL138771 | 208754 | 0 | None | -1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)N(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||||
44401528 | 13989 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1196956 | 13989 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL558787 | 13989 | 0 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 599 | 7 | 4 | 5 | 3.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C(C)(C)C)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
44408253 | 140344 | 0 | None | -141 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL380727 | 140344 | 0 | None | -141 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | ||
46885712 | 8071 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1091151 | 8071 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL1204061 | 8071 | 0 | None | -204 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 488 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(F)cc1 | 10.1021/jm9017866 | ||
CHEMBL104052 | 208462 | 0 | None | -1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
46885972 | 8119 | 0 | None | -52 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 3 | 4.4 | CC(C)N1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
CHEMBL1091631 | 8119 | 0 | None | -52 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 3 | 4.4 | CC(C)N1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3ccccc3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
145980719 | 166496 | 0 | None | 1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4278563 | 166496 | 0 | None | 1 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
44448660 | 94973 | 0 | None | -245 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL254589 | 94973 | 0 | None | -245 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
137637656 | 156238 | 0 | None | -40 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4064777 | 156238 | 0 | None | -40 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1045 | 20 | 14 | 15 | -2.2 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
164626210 | 186490 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 670 | 12 | 4 | 4 | 7.0 | CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877184 | 186490 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 670 | 12 | 4 | 4 | 7.0 | CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44441643 | 154800 | 0 | None | -43 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 591 | 8 | 2 | 7 | 3.9 | Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL400252 | 154800 | 0 | None | -43 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 591 | 8 | 2 | 7 | 3.9 | Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
44347927 | 157276 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL407680 | 157276 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
162662213 | 181496 | 0 | None | 2 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4764827 | 181496 | 0 | None | 2 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 706 | 15 | 6 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
44457043 | 97612 | 0 | None | -3 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 883 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL270923 | 97612 | 0 | None | -3 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 883 | 12 | 10 | 8 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
51350799 | 58801 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53323763 | 58801 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932356 | 58801 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688105 | 58801 | 0 | None | 3 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
1334 | 1501 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1501 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1501 | 7 | None | -17 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44310243 | 169187 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
91932909 | 169187 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
CHEMBL440633 | 169187 | 0 | None | 2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1421 | 24 | 20 | 20 | -4.6 | C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NN)CC(=O)NC(C(=O)NN[C@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||
46232221 | 199169 | 0 | None | -1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589516 | 199169 | 0 | None | -1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 835 | 12 | 9 | 8 | -0.1 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
44305805 | 100882 | 0 | None | 1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 393 | 9 | 5 | 3 | 2.0 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL293673 | 100882 | 0 | None | 1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 393 | 9 | 5 | 3 | 2.0 | NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
127047853 | 139993 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1948 | 72 | 23 | 25 | -2.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799955 | 139993 | 0 | None | 4 | 5 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1948 | 72 | 23 | 25 | -2.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
155539948 | 172886 | 0 | None | -1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4515666 | 172886 | 0 | None | -1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 20 | 11 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2370968 | 209971 | 0 | None | -1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL2370968 | 209971 | 0 | None | -1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/acs.jmedchem.1c01295 | ||||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL385465 | 212351 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL405791 | 212580 | 0 | None | 1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
11491374 | 67620 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 840 | 29 | 9 | 7 | 3.7 | CCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL190366 | 67620 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 840 | 29 | 9 | 7 | 3.7 | CCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
155567399 | 175966 | 0 | None | 17 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 769 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4588429 | 175966 | 0 | None | 17 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 769 | 19 | 9 | 7 | -0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
11181928 | 166157 | 0 | None | -1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 797 | 26 | 9 | 7 | 2.5 | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL426282 | 166157 | 0 | None | -1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 797 | 26 | 9 | 7 | 2.5 | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||
CHEMBL3799094 | 212268 | 0 | None | 8 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
137644449 | 158292 | 0 | None | 3 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1016 | 12 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4088980 | 158292 | 0 | None | 3 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1016 | 12 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
155542040 | 173078 | 0 | None | -199 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4519837 | 173078 | 0 | None | -199 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155549865 | 173856 | 0 | None | 10 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 658 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4539175 | 173856 | 0 | None | 10 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 658 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44408287 | 75386 | 0 | None | -162 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203911 | 75386 | 0 | None | -162 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
44408275 | 75419 | 0 | None | -47 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204078 | 75419 | 0 | None | -47 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3287060 | 211299 | 0 | None | -6 | 5 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL317228 | 211200 | 0 | None | 3 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1 | 10.1021/jm010524p | ||||
155558598 | 174760 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 5 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4561005 | 174760 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 5 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL2096759 | 209208 | 0 | None | -23 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
137640715 | 157003 | 0 | None | -56 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4073316 | 157003 | 0 | None | -56 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 850 | 15 | 7 | 7 | 2.5 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
118735100 | 118800 | 0 | None | -91 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL3421677 | 118800 | 0 | None | -91 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | ||
CHEMBL104010 | 208461 | 0 | None | -1 | 2 | Mouse | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL2323789 | 209515 | 0 | None | -213 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL2370553 | 209870 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
155566074 | 175734 | 0 | None | -13 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 722 | 15 | 8 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4582914 | 175734 | 0 | None | -13 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 722 | 15 | 8 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL106959 | 208474 | 0 | None | -2 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm010524p | ||||
145989222 | 167280 | 0 | None | -25 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 676 | 17 | 7 | 6 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
CHEMBL4293365 | 167280 | 0 | None | -25 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 676 | 17 | 7 | 6 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | ||
44457002 | 97572 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
CHEMBL270691 | 97572 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
44577510 | 188735 | 0 | None | -33 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL504986 | 188735 | 0 | None | -33 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
164627532 | 186608 | 0 | None | 18 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 601 | 11 | 3 | 3 | 6.1 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878922 | 186608 | 0 | None | 18 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 601 | 11 | 3 | 3 | 6.1 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
137657607 | 159636 | 0 | None | -81 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4103567 | 159636 | 0 | None | -81 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 844 | 15 | 7 | 6 | 2.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
122184576 | 122428 | 0 | None | -32 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600837 | 122428 | 0 | None | -32 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
44401313 | 12287 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1184856 | 12287 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028956 | 12287 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
11273288 | 12960 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1189370 | 12960 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL538567 | 12960 | 0 | None | -181 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 585 | 8 | 3 | 5 | 3.6 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL410168 | 212804 | 0 | None | -50 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | ||||
44448631 | 95070 | 0 | None | -91 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
CHEMBL255286 | 95070 | 0 | None | -91 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | ||
102096778 | 58806 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
51351277 | 58806 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
53322400 | 58806 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
91932360 | 58806 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
CHEMBL1688111 | 58806 | 0 | None | -5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||
CHEMBL2323794 | 209520 | 0 | None | -5 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137638218 | 156828 | 0 | None | 2 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 988 | 11 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4071283 | 156828 | 0 | None | 2 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 988 | 11 | 11 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL2372365 | 210224 | 0 | None | 1 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
44408189 | 168879 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL438259 | 168879 | 0 | None | -32 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL3600840 | 211817 | 0 | None | -1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL2323798 | 209524 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL2304248 | 209485 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O | 10.1021/jm0492756 | ||||
164614821 | 185268 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 12 | 3 | 3 | 6.9 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4858724 | 185268 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 12 | 3 | 3 | 6.9 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
45487285 | 196993 | 0 | None | -7 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 627 | 15 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566760 | 196993 | 0 | None | -7 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 627 | 15 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
168295131 | 192242 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
CHEMBL5205283 | 192242 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | ||
137654884 | 158597 | 0 | None | 3 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 840 | 9 | 10 | 9 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4092082 | 158597 | 0 | None | 3 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 840 | 9 | 10 | 9 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
44408252 | 140669 | 0 | None | -30 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381503 | 140669 | 0 | None | -30 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
164621683 | 185593 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 12 | 3 | 3 | 6.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4863711 | 185593 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 12 | 3 | 3 | 6.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
44441636 | 94012 | 0 | None | -6 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 520 | 9 | 2 | 4 | 4.8 | CCCCC1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248701 | 94012 | 0 | None | -6 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 520 | 9 | 2 | 4 | 4.8 | CCCCC1(CC#N)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
46232227 | 199170 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589517 | 199170 | 0 | None | 2 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL3349030 | 211405 | 0 | None | -8 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
49862375 | 15039 | 0 | None | -16 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
CHEMBL1209318 | 15039 | 0 | None | -16 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | ||
164624386 | 186198 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 593 | 10 | 4 | 4 | 5.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4872932 | 186198 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 593 | 10 | 4 | 4 | 5.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL414778 | 213156 | 0 | None | -83 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
1334 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
71457994 | 78579 | 0 | None | -12 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 441 | 8 | 5 | 3 | 3.7 | NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2112213 | 78579 | 0 | None | -12 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 441 | 8 | 5 | 3 | 3.7 | NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00318-4 | ||
44305770 | 202794 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 9 | 5 | 4 | 2.2 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL62228 | 202794 | 0 | None | -2 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 9 | 5 | 4 | 2.2 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1 | 10.1016/s0960-894x(03)00318-4 | ||
155542149 | 173092 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 740 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4520119 | 173092 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 740 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155555182 | 174321 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 778 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4550582 | 174321 | 0 | None | -2 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 778 | 18 | 9 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155563222 | 175291 | 0 | None | -16 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4572994 | 175291 | 0 | None | -16 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 711 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
118722929 | 116232 | 0 | None | -6 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358538 | 116232 | 0 | None | -6 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||
CHEMBL3287329 | 211311 | 0 | None | -1 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O | 10.1021/jm500064t | ||||
CHEMBL503449 | 214166 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
118722925 | 116229 | 0 | None | -7 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
CHEMBL3358534 | 116229 | 0 | None | -7 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1052 | 34 | 13 | 11 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O | 10.1021/jm501027w | ||
122179552 | 121487 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582446 | 121487 | 0 | None | 2 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/acsmedchemlett.5b00053 | ||
162661397 | 181526 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4765156 | 181526 | 0 | None | 1 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 725 | 17 | 8 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
162649653 | 180100 | 0 | None | -9 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4748317 | 180100 | 0 | None | -9 | 3 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 753 | 18 | 10 | 7 | 0.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL438294 | 213766 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
155547310 | 173611 | 0 | None | 6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 750 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4533593 | 173611 | 0 | None | 6 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 750 | 17 | 7 | 7 | 0.5 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155556954 | 174548 | 0 | None | -165 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4556149 | 174548 | 0 | None | -165 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155560756 | 175085 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4568647 | 175085 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
132180599 | 156893 | 0 | None | -3 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4072129 | 156893 | 0 | None | -3 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
164618352 | 184647 | 0 | None | 1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 11 | 3 | 3 | 6.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4849626 | 184647 | 0 | None | 1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 608 | 11 | 3 | 3 | 6.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
137657385 | 159766 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 867 | 21 | 11 | 7 | 0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4105142 | 159766 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 867 | 21 | 11 | 7 | 0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL2112008 | 209226 | 0 | None | -14 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL455826 | 214009 | 0 | None | 1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL321870 | 211232 | 0 | None | 5 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
164627732 | 186494 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 10 | 3 | 3 | 7.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877232 | 186494 | 0 | None | -1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 10 | 3 | 3 | 7.0 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
10210972 | 12275 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1184771 | 12275 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145454 | 12275 | 0 | None | -19 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 9 | 3 | 5 | 3.5 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CCN2)CC1 | 10.1016/j.bmcl.2004.10.020 | ||
46885711 | 8070 | 0 | None | -169 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | ||
CHEMBL1091150 | 8070 | 0 | None | -169 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 504 | 3 | 1 | 3 | 5.4 | C[C@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1 | 10.1021/jm9017866 | ||
CHEMBL2323785 | 209511 | 0 | None | -8 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
155568641 | 176097 | 0 | None | -87 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4591394 | 176097 | 0 | None | -87 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 654 | 14 | 7 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4299612 | 213594 | 0 | None | -1 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
137634090 | 156299 | 0 | None | -3 | 6 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 3980 | 69 | 56 | 64 | -22.2 | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N3)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2 | 10.1021/acs.jmedchem.8b00251 | ||
CHEMBL4065418 | 156299 | 0 | None | -3 | 6 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 3980 | 69 | 56 | 64 | -22.2 | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N3)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2 | 10.1021/acs.jmedchem.8b00251 | ||
44441647 | 154690 | 0 | None | -22 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL399714 | 154690 | 0 | None | -22 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 631 | 8 | 2 | 7 | 4.1 | Cn1nnnc1CC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
164609537 | 184397 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 12 | 3 | 3 | 7.6 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4845842 | 184397 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 12 | 3 | 3 | 7.6 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
164623182 | 185619 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 11 | 4 | 4 | 5.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4864094 | 185619 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 607 | 11 | 4 | 4 | 5.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44359591 | 32075 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 19 | 8 | 7 | -0.2 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL140847 | 32075 | 0 | None | 1 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 699 | 19 | 8 | 7 | -0.2 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2003.08.078 | ||
44347219 | 16580 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
CHEMBL123938 | 16580 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | ||
44359580 | 32877 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 713 | 20 | 5 | 7 | 0.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL141497 | 32877 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 713 | 20 | 5 | 7 | 0.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
164621263 | 185482 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 11 | 3 | 3 | 7.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4862172 | 185482 | 0 | None | -1 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 598 | 11 | 3 | 3 | 7.2 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
137657151 | 159556 | 0 | None | -11 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4102613 | 159556 | 0 | None | -11 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 888 | 18 | 8 | 7 | 3.4 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155549385 | 173805 | 0 | None | 4 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4538225 | 173805 | 0 | None | 4 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 756 | 14 | 6 | 7 | -0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
162662360 | 181471 | 0 | None | -5 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4764556 | 181471 | 0 | None | -5 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
1334 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL410795 | 212842 | 0 | None | -1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
1334 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 1501 | 7 | None | -17 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
137657206 | 159671 | 0 | None | -2 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4103985 | 159671 | 0 | None | -2 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL421028 | 213262 | 0 | None | 1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL138212 | 208752 | 0 | None | 8 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O | 10.1016/j.bmcl.2003.08.078 | ||||
145966716 | 164305 | 0 | None | -138 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 887 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4212209 | 164305 | 0 | None | -138 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 887 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
164613550 | 185129 | 0 | None | 12 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 11 | 3 | 3 | 6.7 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4856539 | 185129 | 0 | None | 12 | 3 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 606 | 11 | 3 | 3 | 6.7 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164625589 | 185741 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 11 | 3 | 3 | 7.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4866151 | 185741 | 0 | None | - | 1 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 612 | 11 | 3 | 3 | 7.4 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
44445082 | 154302 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL398664 | 154302 | 0 | None | -6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
137659091 | 159340 | 0 | None | -6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 806 | 12 | 6 | 6 | 1.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4100160 | 159340 | 0 | None | -6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 806 | 12 | 6 | 6 | 1.5 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
164615813 | 185144 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 10 | 3 | 3 | 6.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4856877 | 185144 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 10 | 3 | 3 | 6.4 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164626394 | 186591 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878558 | 186591 | 0 | None | -1 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 594 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL2115441 | 209268 | 0 | None | -64 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | ||||
CHEMBL195468 | 209102 | 0 | None | -2 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0490843 | ||||
16132144 | 209279 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
16133793 | 209279 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
44273719 | 209279 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL214332 | 209279 | 36 | None | -1 | 8 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2009.07.025 | ||||
122184499 | 122393 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600737 | 122393 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
164609130 | 184427 | 0 | None | -3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 5.1 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4846261 | 184427 | 0 | None | -3 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 5.1 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164612768 | 184719 | 0 | None | 47 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 591 | 10 | 3 | 3 | 6.3 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4850501 | 184719 | 0 | None | 47 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 591 | 10 | 3 | 3 | 6.3 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC2CCC(C(C)(C)C)CC2)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
155561730 | 175653 | 0 | None | -19 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 684 | 14 | 7 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4581269 | 175653 | 0 | None | -19 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 684 | 14 | 7 | 6 | -0.3 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
137637251 | 155906 | 0 | None | -6 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 820 | 10 | 9 | 8 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4060767 | 155906 | 0 | None | -6 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 820 | 10 | 9 | 8 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL433296 | 213636 | 0 | None | 1 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
164622453 | 186090 | 0 | None | 2 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 601 | 12 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4871577 | 186090 | 0 | None | 2 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 601 | 12 | 3 | 3 | 6.2 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
45487286 | 197341 | 0 | None | -10 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 631 | 16 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568940 | 197341 | 0 | None | -10 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 631 | 16 | 8 | 8 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL3600922 | 211825 | 0 | None | 2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44408276 | 75507 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL204308 | 75507 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
45487298 | 197342 | 0 | None | -7 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 657 | 17 | 8 | 8 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568965 | 197342 | 0 | None | -7 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 657 | 17 | 8 | 8 | 0.4 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2323800 | 209526 | 0 | None | -39 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
164617159 | 185435 | 0 | None | 11 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 545 | 13 | 4 | 4 | 4.7 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4861482 | 185435 | 0 | None | 11 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 545 | 13 | 4 | 4 | 4.7 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
44441639 | 94050 | 0 | None | -11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 532 | 7 | 2 | 4 | 4.8 | N#CCC1(C2CCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL248893 | 94050 | 0 | None | -11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 532 | 7 | 2 | 4 | 4.8 | N#CCC1(C2CCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL105113 | 208466 | 0 | None | 1 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
137662147 | 159379 | 0 | None | -99 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4100598 | 159379 | 0 | None | -99 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1051 | 19 | 15 | 15 | -3.0 | C[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
45487409 | 196897 | 0 | None | -9 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(Cl)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566162 | 196897 | 0 | None | -9 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(Cl)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44441633 | 94530 | 0 | None | -18 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 546 | 7 | 2 | 4 | 5.2 | N#CCC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL251735 | 94530 | 0 | None | -18 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 546 | 7 | 2 | 4 | 5.2 | N#CCC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
46885907 | 8040 | 0 | None | -104 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 4.1 | CCN1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3cccc(F)c3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
CHEMBL1090885 | 8040 | 0 | None | -104 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 4.1 | CCN1C[C@@H](C(=O)N2C[C@H](C)[C@@](O)(c3cccc(F)c3)[C@H](C)C2)[C@H](c2ccc(F)cc2F)C1 | 10.1021/jm9017866 | ||
44408173 | 75401 | 0 | None | -154 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL203975 | 75401 | 0 | None | -154 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | ||
164621924 | 185951 | 0 | None | 6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 10 | 3 | 3 | 5.7 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4869531 | 185951 | 0 | None | 6 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 10 | 3 | 3 | 5.7 | CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
164627491 | 186503 | 0 | None | -3 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 11 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4877442 | 186503 | 0 | None | -3 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 587 | 11 | 3 | 3 | 5.8 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC12CC3CC(CC(C3)C1)C2 | 10.1021/acs.jmedchem.0c02041 | ||
44441642 | 154405 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL398816 | 154405 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 577 | 9 | 2 | 7 | 3.5 | CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487418 | 197241 | 0 | None | -8 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 632 | 17 | 8 | 8 | 0.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568341 | 197241 | 0 | None | -8 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 632 | 17 | 8 | 8 | 0.0 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL227239 | 209451 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
137646086 | 157894 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4084136 | 157894 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487410 | 197438 | 0 | None | -21 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 655 | 16 | 8 | 6 | 1.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569696 | 197438 | 0 | None | -21 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 655 | 16 | 8 | 6 | 1.1 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
137642664 | 158080 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 18 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4086346 | 158080 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 772 | 18 | 9 | 7 | -0.3 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL320157 | 211226 | 0 | None | 1 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
137641005 | 157039 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4073782 | 157039 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 858 | 19 | 8 | 6 | 2.7 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
45487297 | 197101 | 0 | None | -13 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 613 | 17 | 8 | 6 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL567634 | 197101 | 0 | None | -13 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 613 | 17 | 8 | 6 | 0.7 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/C=C/c1ccccc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44441645 | 94127 | 0 | None | -63 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249277 | 94127 | 0 | None | -63 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 2 | 7 | 4.4 | CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
45487406 | 196894 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL566150 | 196894 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 605 | 16 | 8 | 6 | 0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccccc1F)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL65339 | 215860 | 0 | None | 1 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010061n | ||||
CHEMBL2372570 | 210271 | 0 | None | -691 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O | 10.1021/jm9017866 | ||||
CHEMBL2323788 | 209514 | 0 | None | -13 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
45487414 | 197281 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(Cl)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL568577 | 197281 | 0 | None | -6 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 621 | 16 | 8 | 6 | 0.8 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(Cl)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
137644603 | 158150 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 848 | 19 | 9 | 7 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4087277 | 158150 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 848 | 19 | 9 | 7 | 1.4 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL322889 | 211235 | 0 | None | 3 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
CHEMBL3600736 | 211812 | 0 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
15602927 | 157882 | 0 | None | -1 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 12 | 10 | 8 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL408398 | 157882 | 0 | None | -1 | 5 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 12 | 10 | 8 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701093y | ||
CHEMBL322610 | 211234 | 0 | None | 2 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL501394 | 214137 | 0 | None | -2 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
162672755 | 183090 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4794484 | 183090 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL50056 | 214119 | 2 | None | -8 | 7 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||||
137658252 | 159629 | 0 | None | 6 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 868 | 10 | 10 | 9 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
CHEMBL4103508 | 159629 | 0 | None | 6 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 868 | 10 | 10 | 9 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01707 | ||
45487290 | 196780 | 0 | None | -22 | 3 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 579 | 17 | 9 | 7 | -1.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1c[nH]cn1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565474 | 196780 | 0 | None | -22 | 3 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 579 | 17 | 9 | 7 | -1.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1c[nH]cn1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
44401520 | 13930 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1196472 | 13930 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL557154 | 13930 | 0 | None | -181 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 571 | 8 | 4 | 5 | 3.3 | CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
137661461 | 159376 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4100584 | 159376 | 0 | None | - | 1 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 870 | 16 | 7 | 6 | 2.9 | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
51351151 | 58805 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53318437 | 58805 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932359 | 58805 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688110 | 58805 | 0 | None | -2 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
137632394 | 156279 | 0 | None | - | 1 | Mouse | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4065189 | 156279 | 0 | None | - | 1 | Mouse | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 914 | 19 | 8 | 7 | 3.9 | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
145948912 | 167485 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1170 | 17 | 14 | 11 | 0.7 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
CHEMBL4299454 | 167485 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1170 | 17 | 14 | 11 | 0.7 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | ||
122179551 | 121486 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL3582445 | 121486 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 699 | 19 | 10 | 7 | 0.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acsmedchemlett.5b00053 | ||
CHEMBL2370533 | 209868 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | ||||
CHEMBL105113 | 208466 | 0 | None | 1 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
1338 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
1338 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
9938402 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL339053 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | ||
1338 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
9938402 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
CHEMBL339053 | 3807 | 43 | None | -660 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | ||
44359589 | 31479 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 685 | 20 | 4 | 7 | 1.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL140324 | 31479 | 0 | None | 3 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 685 | 20 | 4 | 7 | 1.4 | CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 | 10.1016/j.bmcl.2003.08.078 | ||
CHEMBL438235 | 213759 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | ||||
164621414 | 185774 | 0 | None | -1 | 3 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 12 | 4 | 4 | 4.4 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4866532 | 185774 | 0 | None | -1 | 3 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 12 | 4 | 4 | 4.4 | CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL104397 | 208463 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
155562846 | 175170 | 0 | None | -6 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 564 | 13 | 5 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4570356 | 175170 | 0 | None | -6 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 564 | 13 | 5 | 6 | -0.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
137656521 | 159744 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4104927 | 159744 | 0 | None | -33 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1139 | 22 | 17 | 16 | -3.1 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
44401524 | 14006 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1197052 | 14006 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL559181 | 14006 | 0 | None | -120 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 8 | 4 | 5 | 3.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@@H](C3CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL227833 | 209452 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
CHEMBL3349030 | 211405 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL2323792 | 209518 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
127047336 | 139798 | 0 | None | -74 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1730 | 54 | 21 | 19 | 1.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3798768 | 139798 | 0 | None | -74 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1730 | 54 | 21 | 19 | 1.1 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
10122170 | 130319 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 638 | 10 | 3 | 7 | 2.2 | CS(=O)(=O)N(CCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
CHEMBL368008 | 130319 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 638 | 10 | 3 | 7 | 2.2 | CS(=O)(=O)N(CCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.01.060 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
155556466 | 174416 | 0 | None | -11 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 648 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4552764 | 174416 | 0 | None | -11 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 648 | 17 | 8 | 6 | 1.2 | CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL501679 | 214143 | 0 | None | 1 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
46232226 | 201083 | 0 | None | 6 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL602853 | 201083 | 0 | None | 6 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 863 | 12 | 9 | 8 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)CCCCC(=O)NCCN(CC(N)=O)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1016/j.bmc.2009.12.010 | ||
CHEMBL589308 | 215799 | 0 | None | 1 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 | 10.1016/j.bmc.2009.12.010 | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | ||||
16132144 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
16133793 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
44273719 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
CHEMBL214332 | 209279 | 36 | None | -81 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | ||||
CHEMBL415200 | 213179 | 0 | None | 5 | 5 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O | 10.1021/jm030452x | ||||
132180598 | 157849 | 0 | None | -16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4083717 | 157849 | 0 | None | -16 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 803 | 17 | 10 | 7 | -0.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155562237 | 175709 | 0 | None | -39 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4582276 | 175709 | 0 | None | -39 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 692 | 15 | 8 | 7 | 0.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
44408155 | 140553 | 0 | None | -114 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL381125 | 140553 | 0 | None | -114 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
164622957 | 186114 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4871777 | 186114 | 0 | None | - | 1 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164627764 | 186564 | 0 | None | -2 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 603 | 11 | 4 | 4 | 4.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4878201 | 186564 | 0 | None | -2 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 603 | 11 | 4 | 4 | 4.8 | CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL3349030 | 211405 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
122184912 | 122558 | 0 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601430 | 122558 | 0 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL376339 | 212244 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | ||||
16157270 | 212553 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL405282 | 212553 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
CHEMBL411359 | 212879 | 0 | None | -4 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | ||||
16157270 | 212553 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
CHEMBL405282 | 212553 | 14 | None | -109 | 7 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | ||||
155551195 | 173942 | 0 | None | -38 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4541098 | 173942 | 0 | None | -38 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
44305956 | 102761 | 0 | None | -2 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 2.9 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL305132 | 102761 | 0 | None | -2 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 490 | 11 | 5 | 4 | 2.9 | NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
44305784 | 203339 | 0 | None | -1 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 4 | 3 | 3.4 | CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL64967 | 203339 | 0 | None | -1 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 4 | 3 | 3.4 | CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 | 10.1016/s0960-894x(03)00318-4 | ||
CHEMBL2323787 | 209513 | 0 | None | -41 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
137635701 | 156037 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4062425 | 156037 | 0 | None | -1 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 908 | 19 | 8 | 6 | 3.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL3600921 | 211824 | 0 | None | -6 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44391929 | 12412 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL1185810 | 12412 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL2145453 | 12412 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 3 | 5 | 3.3 | CCN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | ||
CHEMBL502300 | 214152 | 0 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
CHEMBL381739 | 212292 | 0 | None | 4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | ||||
44408154 | 141362 | 0 | None | -218 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL383719 | 141362 | 0 | None | -218 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | ||
CHEMBL2323797 | 209523 | 0 | None | -44 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | C[C@H]1CN2C(=O)CSC[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm301253y | ||||
1337 | 3424 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
6918851 | 3424 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL364346 | 3424 | 6 | None | -3 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | ||
10188529 | 126781 | 0 | None | -34 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
CHEMBL365401 | 126781 | 0 | None | -34 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | ||
45487292 | 196852 | 0 | None | -4 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 628 | 16 | 9 | 8 | -0.3 | N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565900 | 196852 | 0 | None | -4 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 628 | 16 | 9 | 8 | -0.3 | N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL2323796 | 209522 | 0 | None | -79 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
24882615 | 97492 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL270270 | 97492 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL331259 | 211361 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | ||||
CHEMBL408509 | 212720 | 0 | None | 2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
44401310 | 12785 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1188043 | 12785 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL534930 | 12785 | 0 | None | -125 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 4 | 5 | 2.9 | C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1 | 10.1016/j.bmcl.2005.02.068 | ||
71456219 | 78747 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
CHEMBL2112603 | 78747 | 0 | None | -23 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | ||
44441684 | 94131 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249321 | 94131 | 0 | None | -109 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 571 | 7 | 3 | 5 | 3.1 | CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3CN(C)CCN3)CC2)CC1 | 10.1016/j.bmcl.2006.11.084 | ||
162672755 | 183090 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL4794484 | 183090 | 0 | None | -16 | 3 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 734 | 16 | 8 | 7 | 1.0 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/acsmedchemlett.0c00561 | ||
CHEMBL2323795 | 209521 | 0 | None | -19 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm301253y | ||||
CHEMBL264190 | 210608 | 1 | None | 2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL2369485 | 209628 | 0 | None | -1 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)N[C@H](C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
155549302 | 173803 | 0 | None | 1 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4538209 | 173803 | 0 | None | 1 | 3 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 626 | 13 | 5 | 6 | 0.7 | CC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C(C)C | 10.1021/acs.jmedchem.9b00053 | ||
155554827 | 174619 | 0 | None | -2 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 621 | 16 | 8 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4557656 | 174619 | 0 | None | -2 | 3 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 621 | 16 | 8 | 7 | -1.6 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
155562993 | 175231 | 0 | None | 1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 694 | 14 | 6 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
CHEMBL4571760 | 175231 | 0 | None | 1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 694 | 14 | 6 | 7 | -1.0 | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O | 10.1021/acs.jmedchem.9b00053 | ||
137637026 | 155925 | 0 | None | -162 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4060937 | 155925 | 0 | None | -162 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1052 | 20 | 15 | 14 | -1.4 | CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
44401321 | 11796 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL1181867 | 11796 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
CHEMBL2028960 | 11796 | 0 | None | -19 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 597 | 8 | 4 | 5 | 3.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN[C@H](C3(C)CC3)CN2)CC1 | 10.1016/j.bmcl.2005.02.068 | ||
102096778 | 58806 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
51351277 | 58806 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53322400 | 58806 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932360 | 58806 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688111 | 58806 | 0 | None | -5 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
45487415 | 197439 | 0 | None | -11 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569697 | 197439 | 0 | None | -11 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 603 | 16 | 9 | 7 | -0.2 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)/C=C/c1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
164625186 | 185967 | 0 | None | 2 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 591 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
CHEMBL4869669 | 185967 | 0 | None | 2 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 591 | 11 | 3 | 3 | 6.5 | CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C(=N)N1CC1CCC(C(C)(C)C)CC1 | 10.1021/acs.jmedchem.0c02041 | ||
145973975 | 164657 | 0 | None | -22 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4216654 | 164657 | 0 | None | -22 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
46885480 | 7754 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1089103 | 7754 | 0 | None | -63 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccccn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
45487412 | 196823 | 0 | None | -8 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL565740 | 196823 | 0 | None | -8 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 605 | 17 | 9 | 7 | -0.3 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL430489 | 213620 | 0 | None | 2 | 3 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
44441681 | 94129 | 0 | None | -104 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL249319 | 94129 | 0 | None | -104 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL439691 | 213848 | 0 | None | -16 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | ||||
CHEMBL438030 | 213744 | 0 | None | -63 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | ||||
51351024 | 58802 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
53318435 | 58802 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
91932358 | 58802 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
CHEMBL1688106 | 58802 | 0 | None | -4 | 4 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 1635 | 23 | 20 | 21 | -1.8 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm101425m | ||
168277916 | 190677 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 4986 | 94 | 68 | 63 | -6.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5181812 | 190677 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 4986 | 94 | 68 | 63 | -6.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168290510 | 191897 | 0 | None | -1288 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1215 | 15 | 14 | 15 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5199932 | 191897 | 0 | None | -1288 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1215 | 15 | 14 | 15 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168293710 | 192166 | 0 | None | -1288 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccc(cc3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5203986 | 192166 | 0 | None | -1288 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccc(cc3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168278271 | 191115 | 0 | None | -2818 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 2167 | 35 | 34 | 26 | -5.3 | CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5187932 | 191115 | 0 | None | -2818 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 2167 | 35 | 34 | 26 | -5.3 | CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168276507 | 190265 | 0 | None | -1584 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175487 | 190265 | 0 | None | -1584 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168285101 | 191644 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5195937 | 191644 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccccc2CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168273645 | 190325 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 5162 | 106 | 68 | 67 | -6.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5176443 | 190325 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 5162 | 106 | 68 | 67 | -6.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168271237 | 190488 | 0 | None | -6760 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 2788 | 45 | 36 | 36 | 0.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5179081 | 190488 | 0 | None | -6760 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 2788 | 45 | 36 | 36 | 0.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168285904 | 191670 | 0 | None | -10232 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5196407 | 191670 | 0 | None | -10232 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2cccc(c2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168294114 | 192190 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 4756 | 82 | 66 | 59 | -5.7 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5204285 | 192190 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 4756 | 82 | 66 | 59 | -5.7 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5c6nnc(c5CCC43)SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168274920 | 190263 | 0 | None | -6025 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175444 | 190263 | 0 | None | -6025 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168283616 | 191239 | 0 | None | -331 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2110 | 33 | 32 | 25 | -4.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5190042 | 191239 | 0 | None | -331 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2110 | 33 | 32 | 25 | -4.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
11993702 | 3593 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 3593 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 3593 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 3593 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 3593 | 18 | None | -12589 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
168272660 | 190433 | 0 | None | -1548 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2202 | 33 | 32 | 24 | -2.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3c(F)c(F)c(c(F)c3F)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5178164 | 190433 | 0 | None | -1548 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2202 | 33 | 32 | 24 | -2.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3c(F)c(F)c(c(F)c3F)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168277543 | 190675 | 0 | None | -4897 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5181752 | 190675 | 0 | None | -4897 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1347 | 15 | 14 | 15 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSCc2ccc(cc2)CSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
10408 | 720 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
5329 | 720 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
9941379 | 720 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL2070241 | 720 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
DB11653 | 720 | 28 | None | -467 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.2c00793 | ||||
168289457 | 191380 | 0 | None | -1047 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccccc3CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5192329 | 191380 | 0 | None | -1047 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2158 | 33 | 32 | 24 | -2.3 | CCCC[C@@H]1NC(=O)[C@@H]2CSCc3ccccc3CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168272615 | 190387 | 0 | None | -4073 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5177494 | 190387 | 0 | None | -4073 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168284256 | 190946 | 0 | None | -4570 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2383 | 48 | 33 | 31 | -4.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC/C(=N/OCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185775 | 190946 | 0 | None | -4570 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 2383 | 48 | 33 | 31 | -4.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC/C(=N/OCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168271934 | 190085 | 0 | None | -288 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2229 | 37 | 32 | 26 | -3.7 | C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5172738 | 190085 | 0 | None | -288 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2229 | 37 | 32 | 26 | -3.7 | C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O | 10.1021/acs.jmedchem.2c00793 | ||
168296647 | 192475 | 0 | None | -13489 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5208830 | 192475 | 0 | None | -13489 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1319 | 15 | 14 | 15 | 0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSCc2ccccc2CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168270124 | 189955 | 0 | None | -1819 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 2096 | 33 | 32 | 24 | -3.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5170533 | 189955 | 0 | None | -1819 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 2096 | 33 | 32 | 24 | -3.6 | CCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
1323 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
168276294 | 190508 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 3264 | 55 | 36 | 40 | 1.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5nnn(CC(=O)N6CCCC[C@H]6C6(O)CN(C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)C6)c5CCC43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5179373 | 190508 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 3264 | 55 | 36 | 40 | 1.5 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCNC(=O)OCC3C4CCc5nnn(CC(=O)N6CCCC[C@H]6C6(O)CN(C(=O)c7ccc(F)c(F)c7Nc7ccc(I)cc7F)C6)c5CCC43)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168284733 | 191624 | 0 | None | -162 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2054 | 33 | 32 | 24 | -4.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5195641 | 191624 | 0 | None | -162 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2054 | 33 | 32 | 24 | -4.1 | CCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168289404 | 191312 | 0 | None | -933 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2134 | 33 | 32 | 28 | -5.0 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5191309 | 191312 | 0 | None | -933 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2134 | 33 | 32 | 28 | -5.0 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168277258 | 190710 | 0 | None | -870 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1243 | 15 | 14 | 15 | -0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5182345 | 190710 | 0 | None | -870 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1243 | 15 | 14 | 15 | -0.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](NC(C)=O)CCSSCC[C@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
168281389 | 190922 | 0 | None | -218 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 2149 | 33 | 33 | 26 | -5.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185405 | 190922 | 0 | None | -218 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 2149 | 33 | 33 | 26 | -5.2 | CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O | 10.1021/acs.jmedchem.2c00793 | ||
168277761 | 190300 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175981 | 190300 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2342 | 37 | 34 | 29 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168295726 | 192405 | 0 | None | -9120 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 2547 | 50 | 34 | 33 | -2.8 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCOCCC(=O)O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5207936 | 192405 | 0 | None | -9120 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 2547 | 50 | 34 | 33 | -2.8 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCOCCOCCC(=O)O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
168281421 | 190957 | 0 | None | -794 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2430 | 43 | 34 | 31 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5185945 | 190957 | 0 | None | -794 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2430 | 43 | 34 | 31 | -3.4 | CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL413573 | 213075 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | ||||
44445085 | 97074 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL267265 | 97074 | 0 | None | -1 | 4 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
132938008 | 159513 | 0 | None | -891 | 5 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4102048 | 159513 | 0 | None | -891 | 5 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
155561116 | 174973 | 0 | None | -269 | 5 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4566163 | 174973 | 0 | None | -269 | 5 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
122184635 | 122434 | 0 | None | 2 | 4 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600916 | 122434 | 0 | None | 2 | 4 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
162650385 | 180071 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4747952 | 180071 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL3577981 | 211749 | 1 | None | -177 | 5 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL3577981 | 211749 | 1 | None | -177 | 5 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||||
44577515 | 189007 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
CHEMBL508816 | 189007 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | ||
132938008 | 159513 | 0 | None | -891 | 5 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4102048 | 159513 | 0 | None | -891 | 5 | Mouse | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
155544852 | 174939 | 0 | None | -331 | 5 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4565367 | 174939 | 0 | None | -331 | 5 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
162645080 | 179450 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4740561 | 179450 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
155548853 | 173809 | 0 | None | -758 | 5 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
CHEMBL4538274 | 173809 | 0 | None | -758 | 5 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | ||
131839615 | 212636 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
16133835 | 212636 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
CHEMBL407070 | 212636 | 26 | None | -1 | 7 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
131839615 | 212636 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
16133835 | 212636 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
CHEMBL407070 | 212636 | 26 | None | 1 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | None | ||||
1341 | 3076 | 0 | None | 6 | 3 | Human | 10.5 | pIC50 | None | 10.5 | Functional | Guide to Pharmacology | None | None | None | None | 12431055 | ||||
1335 | 315 | 0 | None | -630 | 3 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 9892020 | ||||
1342 | 247 | 0 | None | - | 1 | Human | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | None | None | None | None | 12904077 | ||||
1324 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16154396 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
16197727 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
44285019 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
57514683 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
91898441 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL441738 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
DB04931 | 302 | 25 | None | -13 | 9 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1323 | 2688 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
92432 | 2688 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL430239 | 2688 | 55 | None | -181 | 8 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 12007532 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
44366081 | 10262 | 0 | None | - | 2 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL1161313 | 10262 | 0 | None | - | 2 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
1323 | 2688 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
92432 | 2688 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
101176453 | 182962 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01029 | |||
CHEMBL4792986 | 182962 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1034 | 15 | 12 | 10 | 0.7 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.6b01029 | |||
CHEMBL1161322 | 208508 | 0 | None | - | 2 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||||
1324 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL2096742 | 209206 | 0 | None | - | 2 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL442504 | 213916 | 0 | None | -1 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
1323 | 2688 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
92432 | 2688 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44327392 | 141863 | 0 | None | - | 0 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 1025 | 21 | 12 | 12 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0104872 | |||
CHEMBL386583 | 141863 | 0 | None | - | 0 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 1025 | 21 | 12 | 12 | -0.6 | CCCC[C@H](NC(C)=O)C(=O)N1C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]1CC(=O)O | 10.1021/jm0104872 | |||
CHEMBL1161323 | 208509 | 0 | None | - | 2 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
16132144 | 209279 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | |||||
16133793 | 209279 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | |||||
44273719 | 209279 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | |||||
CHEMBL214332 | 209279 | 36 | None | - | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049010r | |||||
CHEMBL2369959 | 209740 | 0 | None | - | 0 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
16132144 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | |||||
16133793 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | |||||
44273719 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | |||||
CHEMBL214332 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm020296e | |||||
16132144 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | |||||
16133793 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | |||||
44273719 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | |||||
CHEMBL214332 | 209279 | 36 | None | - | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm0104872 | |||||
CHEMBL2369967 | 209748 | 0 | None | - | 0 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
1323 | 2688 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
92432 | 2688 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL2369964 | 209745 | 0 | None | - | 0 | Mouse | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
44322868 | 106008 | 0 | None | -4 | 3 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL313279 | 106008 | 0 | None | -4 | 3 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL2369963 | 209744 | 0 | None | - | 0 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL1161318 | 208505 | 0 | None | - | 2 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL347364 | 211713 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL191063 | 209079 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL365794 | 212041 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
11038873 | 171880 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 545 | 12 | 3 | 6 | 2.9 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
CHEMBL446941 | 171880 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 545 | 12 | 3 | 6 | 2.9 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
10260053 | 168203 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL433413 | 168203 | 0 | None | -6 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL347216 | 211712 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL190080 | 209062 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL275303 | 210821 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | None | None | None | CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL432027 | 213631 | 0 | None | - | 0 | Mouse | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
46877881 | 201818 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL606990 | 201818 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL94391 | 215909 | 0 | None | - | 0 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL327479 | 211294 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL433522 | 213641 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccncc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL190551 | 209066 | 0 | None | - | 0 | Mouse | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL348901 | 211716 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
44323234 | 168056 | 0 | None | -11 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL432377 | 168056 | 0 | None | -11 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL1161321 | 208507 | 0 | None | - | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL2371147 | 210017 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
CHEMBL3422431 | 211670 | 0 | None | - | 1 | Mouse | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/ml500340z | |||||
118735610 | 118881 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | |||
CHEMBL3422433 | 118881 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | |||
CHEMBL190953 | 209077 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL372237 | 212172 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL2372589 | 210273 | 0 | None | - | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL5282523 | 194158 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 1096 | 15 | 12 | 10 | 1.6 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2Cc3ccccc3CN2C1=O | 10.1021/acs.jmedchem.6b01029 | |||
CHEMBL2369969 | 209750 | 0 | None | - | 0 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2096742 | 209206 | 0 | None | - | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2369973 | 209754 | 0 | None | - | 0 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
1325 | 3600 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
6440621 | 3600 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
9898183 | 3600 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL3422426 | 3600 | 14 | None | - | 7 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
118735609 | 118880 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | |||
CHEMBL3422432 | 118880 | 0 | None | - | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/ml500340z | |||
44269217 | 30260 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 649 | 14 | 3 | 6 | 4.4 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)CC1 | 10.1021/jm025600i | |||
CHEMBL13910 | 30260 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 649 | 14 | 3 | 6 | 4.4 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)CC1 | 10.1021/jm025600i | |||
CHEMBL2369974 | 209755 | 0 | None | - | 0 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL329490 | 211317 | 0 | None | - | 0 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
118735606 | 118879 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 877 | 18 | 9 | 7 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/ml500340z | |||
CHEMBL3422429 | 118879 | 0 | None | - | 1 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 877 | 18 | 9 | 7 | 2.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O | 10.1021/ml500340z | |||
11828678 | 207873 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 721 | 16 | 8 | 6 | 1.0 | CC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm0104872 | |||
CHEMBL96531 | 207873 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 721 | 16 | 8 | 6 | 1.0 | CC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 | 10.1021/jm0104872 | |||
CHEMBL2096745 | 209207 | 0 | None | - | 0 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O | 10.1021/jm020296e | |||||
CHEMBL191120 | 209080 | 0 | None | - | 0 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL370321 | 212167 | 0 | None | - | 0 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44269214 | 98494 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 6 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
CHEMBL276012 | 98494 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 6 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
118735604 | 118877 | 0 | None | - | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 860 | 18 | 10 | 6 | 2.0 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | |||
CHEMBL3422427 | 118877 | 0 | None | - | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 860 | 18 | 10 | 6 | 2.0 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | |||
CHEMBL329847 | 211321 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL2369982 | 209763 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2369960 | 209741 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2370154 | 209801 | 0 | None | -6 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | |||||
CHEMBL2369965 | 209746 | 0 | None | - | 0 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
44369234 | 45246 | 0 | None | - | 0 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 685 | 18 | 9 | 7 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | |||
CHEMBL152612 | 45246 | 0 | None | - | 0 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 685 | 18 | 9 | 7 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | |||
CHEMBL264190 | 210608 | 1 | None | - | 2 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL330233 | 211331 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL365913 | 212043 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL188738 | 209059 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL189991 | 209061 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL2369976 | 209757 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL154153 | 208800 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL264190 | 210608 | 1 | None | - | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL350012 | 211722 | 0 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]cn1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL96871 | 215921 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL431092 | 213622 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL2371150 | 210018 | 0 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL1161320 | 208506 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
44269189 | 98338 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 587 | 13 | 3 | 6 | 3.1 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 | 10.1021/jm025600i | |||
CHEMBL275067 | 98338 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 587 | 13 | 3 | 6 | 3.1 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 | 10.1021/jm025600i | |||
CHEMBL190203 | 209064 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL264190 | 210608 | 1 | None | - | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/ml500340z | |||||
CHEMBL357558 | 211743 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369983 | 209764 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL330561 | 211333 | 0 | None | - | 0 | Mouse | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL317969 | 211208 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
44347840 | 161924 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
91932630 | 161924 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL415333 | 161924 | 0 | None | -208 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL2369966 | 209747 | 0 | None | - | 0 | Mouse | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2369961 | 209742 | 0 | None | - | 0 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc3C2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
9915813 | 38489 | 15 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 559 | 12 | 2 | 7 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 | 10.1021/jm025600i | |||
CHEMBL14642 | 38489 | 15 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 559 | 12 | 2 | 7 | 3.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 | 10.1021/jm025600i | |||
CHEMBL1161316 | 208504 | 0 | None | - | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
10101361 | 155703 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 717 | 16 | 8 | 6 | 2.4 | CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||
CHEMBL405174 | 155703 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 717 | 16 | 8 | 6 | 2.4 | CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||
CHEMBL151906 | 208794 | 0 | None | - | 0 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1csc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL154251 | 208801 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369975 | 209756 | 0 | None | - | 0 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2369970 | 209751 | 0 | None | - | 0 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2371832 | 210135 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL432201 | 213633 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
44366171 | 121294 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
CHEMBL358015 | 121294 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
CHEMBL3422430 | 211669 | 0 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/ml500340z | |||||
44322795 | 206926 | 0 | None | -114 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL91041 | 206926 | 0 | None | -114 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL94369 | 215908 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL2371835 | 210137 | 0 | None | - | 0 | Mouse | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL186970 | 209054 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL2371829 | 210134 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL2371833 | 210136 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
44323020 | 168996 | 0 | None | -741 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL439188 | 168996 | 0 | None | -741 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL320157 | 211226 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL2369968 | 209749 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2369971 | 209752 | 0 | None | - | 0 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL2096693 | 209204 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369962 | 209743 | 0 | None | - | 0 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL152555 | 208795 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
CHEMBL358833 | 211803 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
CHEMBL346925 | 211711 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
118735605 | 118878 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 897 | 19 | 9 | 6 | 3.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/ml500340z | |||
CHEMBL3422428 | 118878 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 897 | 19 | 9 | 6 | 3.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/ml500340z | |||
CHEMBL2369972 | 209753 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL373344 | 212175 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL188459 | 209057 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL190102 | 209063 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)Cc1ccccc1 | 10.1021/jm0490033 | |||||
CHEMBL2369977 | 209758 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@](C)(C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049010r | |||||
CHEMBL349795 | 211720 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1cccs1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL152986 | 208797 | 0 | None | - | 0 | Mouse | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL317968 | 211207 | 0 | None | - | 0 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
11813437 | 98529 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 4.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
CHEMBL276301 | 98529 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 530 | 12 | 2 | 5 | 4.0 | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 | 10.1021/jm025600i | |||
CHEMBL2371147 | 210017 | 0 | None | - | 0 | Mouse | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
44366081 | 10262 | 0 | None | - | 2 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL1161313 | 10262 | 0 | None | - | 2 | Human | 10.6 | pIC50 | = | 10.6 | Binding | ChEMBL | 1036 | 15 | 13 | 11 | 0.4 | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||
CHEMBL1161322 | 208508 | 0 | None | - | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL2096742 | 209206 | 0 | None | - | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | |||||
16049796 | 83466 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 543 | 11 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL220018 | 83466 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 543 | 11 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
44418438 | 166010 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL425442 | 166010 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL1161323 | 208509 | 0 | None | - | 2 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
CHEMBL2371966 | 210163 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | |||||
44418413 | 83213 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 500 | 11 | 2 | 3 | 4.7 | O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL218558 | 83213 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 500 | 11 | 2 | 3 | 4.7 | O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
44418437 | 83175 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL218361 | 83175 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 458 | 8 | 2 | 3 | 3.5 | O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL501592 | 214141 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL2371962 | 210159 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0614275 | |||||
44418420 | 141947 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 5 | 1 | 2 | 4.0 | O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL387169 | 141947 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 5 | 1 | 2 | 4.0 | O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
1324 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
1324 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
1324 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL2096742 | 209206 | 0 | None | - | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | |||||
CHEMBL2371968 | 210165 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
CHEMBL524861 | 215623 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL2372589 | 210273 | 0 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL204310 | 209164 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL2371965 | 210162 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
71449048 | 78481 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2111808 | 78481 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL203760 | 209161 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0510326 | |||||
CHEMBL446185 | 213944 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL1775062 | 208880 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2011.03.019 | |||||
137659790 | 159322 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||
CHEMBL4099889 | 159322 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||
CHEMBL190551 | 209066 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL408509 | 212720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL5077811 | 214516 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL372237 | 212172 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44396987 | 67193 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL187774 | 67193 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
122184912 | 122558 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601430 | 122558 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
44397220 | 167304 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL429387 | 167304 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL264190 | 210608 | 1 | None | - | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL2096759 | 209208 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
44408287 | 75386 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL203911 | 75386 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL427205 | 213352 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
49862378 | 15042 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 4.6 | CC(=O)N(CC(CC(C)C)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209321 | 15042 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 534 | 8 | 0 | 4 | 4.6 | CC(=O)N(CC(CC(C)C)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | |||
15953833 | 78974 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL2113037 | 78974 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
137647538 | 157962 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4084765 | 157962 | 0 | None | - | 3 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
137646617 | 157544 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4080223 | 157544 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL5085972 | 215003 | 0 | None | - | 3 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3601426 | 211826 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
16132144 | 209279 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
16133793 | 209279 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
44273719 | 209279 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL214332 | 209279 | 36 | None | -100 | 4 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1016/j.bmcl.2005.05.109 | |||||
CHEMBL1161321 | 208507 | 0 | None | - | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
145976444 | 163963 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 889 | 11 | 12 | 9 | -0.1 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4207858 | 163963 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 889 | 11 | 12 | 9 | -0.1 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
24774521 | 154258 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398635 | 154258 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 861 | 9 | 10 | 8 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
44397652 | 123634 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL361883 | 123634 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
155546131 | 173530 | 0 | None | - | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 929 | 9 | 8 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4531291 | 173530 | 0 | None | - | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 929 | 9 | 8 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
6918276 | 15611 | 7 | None | -12 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
CHEMBL1221512 | 15611 | 7 | None | -12 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
46919520 | 15138 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
CHEMBL1209788 | 15138 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 4 | 0 | 5 | 6.3 | Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N | 10.1016/j.bmcl.2010.06.068 | |||
44431512 | 145924 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL391796 | 145924 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1038 | 14 | 12 | 10 | 0.9 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL5092761 | 215388 | 0 | None | - | 3 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3577981 | 211749 | 1 | None | -29 | 3 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||||
CHEMBL188738 | 209059 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL5087814 | 215119 | 0 | None | - | 3 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
44448660 | 94973 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL254589 | 94973 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 6 | 1 | 3 | 6.9 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
122184578 | 122430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600839 | 122430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
44577515 | 189007 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL508816 | 189007 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
49862375 | 15039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209318 | 15039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 624 | 8 | 0 | 6 | 5.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 | 10.1016/j.bmcl.2010.06.038 | |||
54586246 | 60817 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1762008 | 60817 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL376339 | 212244 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
44277696 | 101205 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.012 | |||
CHEMBL29582 | 101205 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/j.bmcl.2005.08.012 | |||
6918813 | 131371 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | |||
CHEMBL368876 | 131371 | 3 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | |||
44277696 | 101205 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | |||
CHEMBL29582 | 101205 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 770 | 22 | 10 | 8 | -0.7 | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1016/s0960-894x(02)00830-2 | |||
118735103 | 118803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 698 | 15 | 8 | 9 | -0.8 | CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3421680 | 118803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 698 | 15 | 8 | 9 | -0.8 | CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
1324 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16154396 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16197727 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
44285019 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
57514683 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
91898441 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
CHEMBL441738 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
DB04931 | 302 | 25 | None | - | 4 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
54584301 | 60810 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 6 | 2 | 4 | 4.6 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1C | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1761872 | 60810 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 6 | 2 | 4 | 4.6 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1C | 10.1016/j.bmcl.2011.02.090 | |||
10483153 | 60811 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1761873 | 60811 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
54584302 | 60812 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1761874 | 60812 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
44397461 | 126227 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL365005 | 126227 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 606 | 10 | 2 | 7 | 5.6 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL3350396 | 211479 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | |||||
15953838 | 67270 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
CHEMBL188146 | 67270 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
CHEMBL539306 | 67270 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 602 | 10 | 2 | 7 | 5.9 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccccc3)c2=O)cc1 | 10.1016/j.bmcl.2003.09.026 | |||
122184575 | 122427 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600836 | 122427 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
44408252 | 140669 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL381503 | 140669 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 8 | 3 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
127053937 | 149053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 11 | 2 | 4 | 4.3 | CCC(CC)CN1CC[C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O | nan | |||
CHEMBL3942822 | 149053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 11 | 2 | 4 | 4.3 | CCC(CC)CN1CC[C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O | nan | |||
CHEMBL2371964 | 210161 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
57854102 | 148321 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3936968 | 148321 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
44348144 | 157822 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL408336 | 157822 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)C1CSSCC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
122184909 | 122554 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601427 | 122554 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL5081077 | 214717 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]1CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
168282779 | 191171 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5188894 | 191171 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
1338 | 3807 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
9938402 | 3807 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
CHEMBL339053 | 3807 | 43 | None | - | 4 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
CHEMBL190203 | 209064 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL365794 | 212041 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL3600920 | 211823 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
44347840 | 161924 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
91932630 | 161924 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL415333 | 161924 | 0 | None | -208 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0202526 | |||
CHEMBL1161316 | 208504 | 0 | None | - | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL3600840 | 211817 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL3600832 | 211813 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145973975 | 164657 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4216654 | 164657 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44408189 | 168879 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL438259 | 168879 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 4 | 4.6 | CN1CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL5090670 | 215277 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
137636965 | 156216 | 0 | None | - | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4064433 | 156216 | 0 | None | - | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
145964837 | 164347 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4212629 | 164347 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 875 | 11 | 12 | 9 | -0.5 | CC1(C)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL5087859 | 215123 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
118735100 | 118800 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3421677 | 118800 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 764 | 15 | 9 | 6 | 1.8 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3600913 | 211822 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL5090946 | 215285 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
44445085 | 97074 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL267265 | 97074 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 879 | 9 | 11 | 9 | 1.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
44408173 | 75401 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL203975 | 75401 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 640 | 8 | 2 | 5 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
44408276 | 75507 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL204308 | 75507 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 632 | 8 | 2 | 5 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
132938008 | 159513 | 0 | None | -17 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4102048 | 159513 | 0 | None | -17 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
138106885 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
36314 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
CHEMBL428647 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
168296790 | 192346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5206941 | 192346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5075712 | 214394 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL5077095 | 214479 | 0 | None | - | 3 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3601431 | 211827 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL5077144 | 214485 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
16132144 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
16133793 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
44273719 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
CHEMBL214332 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm049579s | |||||
16132144 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
16133793 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
44273719 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
CHEMBL214332 | 209279 | 36 | None | -100 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm030111j | |||||
44408190 | 96923 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL265985 | 96923 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 4.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
71449047 | 78480 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2111807 | 78480 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44577510 | 188735 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL504986 | 188735 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 893 | 12 | 11 | 11 | 0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
44408154 | 141362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL383719 | 141362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 668 | 8 | 2 | 5 | 5.1 | CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)S1(=O)=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
42630327 | 155871 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1119 | 32 | 19 | 14 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4060381 | 155871 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1119 | 32 | 19 | 14 | -3.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O | 10.1021/acs.jmedchem.8b00170 | |||
11993702 | 3593 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
5416 | 3593 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
9272 | 3593 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3301624 | 3593 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
DB11700 | 3593 | 18 | None | -19 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
10408 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | |||||
5329 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | |||||
9941379 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL2070241 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | |||||
DB11653 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.8b00170 | |||||
10408 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | |||||
5329 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | |||||
9941379 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL2070241 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | |||||
DB11653 | 720 | 28 | None | -3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL5083551 | 214869 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL5091236 | 215299 | 0 | None | - | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL190427 | 209065 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL190732 | 209067 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL191063 | 209079 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL2371835 | 210137 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
168273822 | 190570 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5180152 | 190570 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL2371712 | 210109 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL2371971 | 210168 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](c2ccccc2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL502300 | 214152 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
1324 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1324 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL413573 | 213075 | 0 | None | 1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL204263 | 209163 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL425591 | 213338 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL503229 | 214163 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm801300c | |||||
CHEMBL443071 | 213920 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL500743 | 214124 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL2371967 | 210164 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | |||||
122184637 | 122436 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600918 | 122436 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL2371963 | 210160 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | |||||
145973779 | 164732 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 929 | 11 | 12 | 9 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4217528 | 164732 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 929 | 11 | 12 | 9 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44408155 | 140553 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL381125 | 140553 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 656 | 10 | 2 | 5 | 4.9 | CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL439691 | 213848 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
44347927 | 157276 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL407680 | 157276 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1443 | 31 | 14 | 21 | -1.9 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL1201469 | 14507 | 0 | None | -1 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | nan | |||||
CHEMBL5076315 | 214428 | 0 | None | - | 3 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
44448590 | 95599 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL257759 | 95599 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 571 | 7 | 1 | 4 | 6.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
44417555 | 97240 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 896 | 15 | 9 | 10 | 1.2 | CC(=O)N[C@H]1CSSC[C@@H](C(=O)N(CCCCN=C(N)N)[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | |||
CHEMBL268684 | 97240 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 896 | 15 | 9 | 10 | 1.2 | CC(=O)N[C@H]1CSSC[C@@H](C(=O)N(CCCCN=C(N)N)[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm060768f | |||
CHEMBL2372588 | 210272 | 0 | None | - | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | |||||
145967155 | 164243 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4211275 | 164243 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 901 | 11 | 12 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44408388 | 140323 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL380635 | 140323 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 646 | 8 | 2 | 5 | 5.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.11.095 | |||
24774519 | 94854 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 911 | 9 | 10 | 8 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL253788 | 94854 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 911 | 9 | 10 | 8 | 2.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL509582 | 215546 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | |||||
44408275 | 75419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL204078 | 75419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 620 | 8 | 2 | 5 | 5.1 | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL409144 | 212747 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
1334 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL3600841 | 211818 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
4189 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
2247 | 505 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | 81 | None | -63 | 42 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
1323 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
24774438 | 94855 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 816 | 9 | 10 | 9 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL253789 | 94855 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 816 | 9 | 10 | 9 | 0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
6918849 | 122964 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL360818 | 122964 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL2371973 | 210170 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(Cc3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
CHEMBL2115441 | 209268 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm960845e | |||||
6918813 | 131371 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | |||
CHEMBL368876 | 131371 | 3 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 3 | 5 | 2.9 | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 | 10.1016/j.bmcl.2004.10.020 | |||
16725559 | 94989 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL254757 | 94989 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.5 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
10077258 | 15031 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 4.5 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209253 | 15031 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 4.5 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL389674 | 212433 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
1334 | 1501 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16133814 | 1501 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL437050 | 1501 | 7 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
137659790 | 159322 | 0 | None | - | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4099889 | 159322 | 0 | None | - | 3 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1728 | 21 | 21 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
122184914 | 122559 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1144 | 17 | 9 | 11 | 1.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601432 | 122559 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1144 | 17 | 9 | 11 | 1.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
1323 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL228194 | 209453 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
71456219 | 78747 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2112603 | 78747 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1533 | 33 | 16 | 22 | -1.3 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
1016 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL2221249 | 209443 | 0 | None | -1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | |||||
122184635 | 122434 | 0 | None | -3 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600916 | 122434 | 0 | None | -3 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL5091245 | 215300 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
44445083 | 154305 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398665 | 154305 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 953 | 9 | 10 | 9 | 2.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL3600834 | 211815 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
155544852 | 174939 | 0 | None | -19 | 4 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4565367 | 174939 | 0 | None | -19 | 4 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 977 | 12 | 10 | 10 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL426756 | 213349 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
44348200 | 160196 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL410949 | 160196 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 1511 | 33 | 16 | 22 | -1.7 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
44448631 | 95070 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL255286 | 95070 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
49862425 | 15060 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 570 | 9 | 0 | 5 | 4.0 | CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209382 | 15060 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 570 | 9 | 0 | 5 | 4.0 | CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2010.06.038 | |||
137631599 | 156526 | 0 | None | - | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4067967 | 156526 | 0 | None | - | 3 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
2750 | 204061 | 76 | None | -15 | 12 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
CHEMBL7002 | 204061 | 76 | None | -15 | 12 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
44431511 | 88066 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL234629 | 88066 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1004 | 14 | 12 | 10 | 0.3 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
155548853 | 173809 | 0 | None | -50 | 4 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4538274 | 173809 | 0 | None | -50 | 4 | Mouse | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 1005 | 13 | 10 | 10 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL414778 | 213156 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL3600833 | 211814 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL413439 | 213070 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL204864 | 209166 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
168278924 | 191066 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5187368 | 191066 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
127053935 | 144185 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | |||
CHEMBL3904191 | 144185 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | |||
CHEMBL3752534 | 212216 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL1775066 | 208881 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL382369 | 212305 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL5075506 | 214379 | 0 | None | - | 3 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
10282847 | 122965 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 5.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL360819 | 122965 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 5.9 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
127053935 | 144185 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | |||
CHEMBL3904191 | 144185 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 602 | 11 | 2 | 4 | 6.2 | O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1 | nan | |||
71459938 | 78981 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL2113043 | 78981 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 622 | 9 | 2 | 6 | 6.6 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL189991 | 209061 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL275999 | 210826 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL370321 | 212167 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
1338 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | |||
9938402 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL339053 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.05.012 | |||
1338 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | |||
9938402 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL339053 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2005.11.095 | |||
1338 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
9938402 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
CHEMBL339053 | 3807 | 43 | None | -154 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm025539h | |||
1334 | 1501 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 1501 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 1501 | 7 | None | -3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
10210964 | 67243 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 606 | 7 | 3 | 4 | 5.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL187990 | 67243 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 606 | 7 | 3 | 4 | 5.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
16157270 | 212553 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL405282 | 212553 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
44577520 | 188824 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 904 | 12 | 10 | 11 | 1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm701181n | |||
CHEMBL506274 | 188824 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 904 | 12 | 10 | 11 | 1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm701181n | |||
CHEMBL376614 | 212252 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
16157270 | 212553 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL405282 | 212553 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
CHEMBL3600843 | 211820 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
57853943 | 146524 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3922633 | 146524 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL227239 | 209451 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
155561116 | 174973 | 0 | None | -10 | 4 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4566163 | 174973 | 0 | None | -10 | 4 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 964 | 11 | 11 | 11 | -1.4 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
145990599 | 166855 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 710 | 17 | 7 | 6 | 2.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4285535 | 166855 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 710 | 17 | 7 | 6 | 2.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
118735102 | 118802 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 707 | 15 | 8 | 6 | 1.1 | CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3421679 | 118802 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 707 | 15 | 8 | 6 | 1.1 | CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
2683 | 102888 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
CHEMBL305906 | 102888 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
CHEMBL334255 | 102888 | 25 | None | -478 | 16 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
24858481 | 189109 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 909 | 12 | 10 | 10 | 2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL510234 | 189109 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 909 | 12 | 10 | 10 | 2.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
145971389 | 164633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4216242 | 164633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 851 | 11 | 12 | 9 | -1.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
11249545 | 66204 | 0 | None | 61 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | |||
CHEMBL184432 | 66204 | 0 | None | 61 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | |||
11364326 | 66686 | 0 | None | 27 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL185455 | 66686 | 0 | None | 27 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL5094168 | 215479 | 0 | None | - | 3 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
122184638 | 122437 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600919 | 122437 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
25444 | 155651 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | |||
CHEMBL404811 | 155651 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | |||
122184636 | 122435 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600917 | 122435 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL375947 | 212232 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
8447 | 188949 | 84 | None | -50 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
CHEMBL508112 | 188949 | 84 | None | -50 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
3198 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL371610 | 212170 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL1161320 | 208506 | 0 | None | - | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
44422999 | 168855 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||
CHEMBL438118 | 168855 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1040 | 15 | 9 | 10 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||
1323 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
163196518 | 192129 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5203580 | 192129 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL1161318 | 208505 | 0 | None | - | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
44397455 | 123843 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CC2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL362523 | 123843 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.2 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3CC2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL381739 | 212292 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | |||||
57854192 | 153049 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3975851 | 153049 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
137655905 | 158828 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4094606 | 158828 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
137640703 | 157097 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4074479 | 157097 | 0 | None | - | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
168272745 | 190523 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccc(cc2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5179534 | 190523 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2ccc(cc2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
122184911 | 122556 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601429 | 122556 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
1323 | 2688 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
9808801 | 60809 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1761871 | 60809 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 5.0 | CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL383250 | 212312 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
145966490 | 164362 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4212762 | 164362 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 839 | 11 | 12 | 9 | -1.2 | CC1(C)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
24857886 | 155248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL402769 | 155248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 591 | 6 | 1 | 3 | 7.2 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
68617 | 205527 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
CHEMBL1709 | 205527 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
CHEMBL809 | 205527 | 62 | None | -21 | 26 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
145980719 | 166496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4278563 | 166496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 642 | 17 | 7 | 6 | 1.6 | CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
168274393 | 190105 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5172938 | 190105 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
11341045 | 66166 | 0 | None | 22 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL184275 | 66166 | 0 | None | 22 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL3600835 | 211816 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL438920 | 213809 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON | 10.1021/jm049579s | |||||
CHEMBL2371970 | 210167 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C2CCCCC2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL438294 | 213766 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL203602 | 209160 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | |||||
44206252 | 149332 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3945076 | 149332 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@@H]1N[C@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL190080 | 209062 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL2371828 | 210133 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)C(C)=O | 10.1021/jm0490033 | |||||
168273291 | 190532 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5179637 | 190532 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1163 | 17 | 13 | 12 | 3.0 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)C(C)(C)SCc2ccccc2CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5080784 | 214706 | 0 | None | - | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
44445084 | 160739 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL411391 | 160739 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 829 | 9 | 11 | 9 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCCC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
11341046 | 66880 | 0 | None | 57 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186339 | 66880 | 0 | None | 57 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
11237444 | 127465 | 0 | None | 245 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL366042 | 127465 | 0 | None | 245 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
10304776 | 78979 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 6.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCCc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL2113041 | 78979 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 634 | 7 | 3 | 4 | 6.1 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCCc3ccccc3C2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
54587278 | 60818 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1762009 | 60818 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 6 | 3 | 4 | 4.7 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
44366171 | 121294 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
CHEMBL358015 | 121294 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm0202526 | |||
CHEMBL410795 | 212842 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL5080489 | 214689 | 0 | None | - | 3 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL263948 | 210599 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960840h | |||||
16132144 | 209279 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | |||||
16133793 | 209279 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | |||||
44273719 | 209279 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | |||||
CHEMBL214332 | 209279 | 36 | None | -100 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm960845e | |||||
57854192 | 153049 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3975851 | 153049 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
24858479 | 172609 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 915 | 10 | 10 | 10 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL449124 | 172609 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 915 | 10 | 10 | 10 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
57854192 | 153049 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3975851 | 153049 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 576 | 11 | 5 | 4 | 4.2 | N=C(N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O | nan | |||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL3600922 | 211825 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
24858629 | 195469 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL552520 | 195469 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 853 | 10 | 9 | 10 | 1.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
137660993 | 159447 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4101216 | 159447 | 0 | None | - | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
145948876 | 167483 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL4299441 | 167483 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1220 | 17 | 14 | 11 | 1.9 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.5b01285 | |||
CHEMBL5078687 | 214580 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL455070 | 213999 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm801300c | |||||
122184634 | 122433 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600915 | 122433 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
122184576 | 122428 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600837 | 122428 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
122184499 | 122393 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600737 | 122393 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1088 | 17 | 13 | 11 | 0.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600912 | 211821 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
122184633 | 122432 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600914 | 122432 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1116 | 17 | 11 | 11 | 1.1 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600736 | 211812 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
49862377 | 15041 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209320 | 15041 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 9 | 0 | 6 | 6.2 | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 | 10.1016/j.bmcl.2010.06.038 | |||
145976863 | 163758 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4205548 | 163758 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 879 | 11 | 12 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44408253 | 140344 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL380727 | 140344 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 650 | 10 | 2 | 5 | 6.1 | CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)C(C)C | 10.1016/j.bmcl.2005.11.095 | |||
11477853 | 66894 | 0 | None | 38 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL186439 | 66894 | 0 | None | 38 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL5094215 | 215481 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL190953 | 209077 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL364711 | 212032 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
118735099 | 118799 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 746 | 15 | 9 | 6 | 1.6 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3421676 | 118799 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 746 | 15 | 9 | 6 | 1.6 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL411359 | 212879 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
10304547 | 168252 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL433764 | 168252 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 620 | 7 | 3 | 4 | 5.7 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@H]2N)CC1 | 10.1016/j.bmcl.2005.05.012 | |||
CHEMBL11359 | 9780 | 0 | None | -2 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | |||||
10188529 | 126781 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL365401 | 126781 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 | 10.1016/j.bmcl.2005.05.109 | |||
44448629 | 167463 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL429854 | 167463 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 619 | 6 | 1 | 3 | 7.0 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL2310901 | 209498 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm049579s | |||||
10257242 | 15030 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | |||
CHEMBL1209252 | 15030 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 560 | 7 | 0 | 4 | 5.1 | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C | 10.1016/j.bmcl.2010.06.038 | |||
137636677 | 156100 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4063111 | 156100 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1680 | 20 | 21 | 21 | -3.5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
44448479 | 155371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL403420 | 155371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 6 | 1 | 3 | 7.3 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL5090285 | 215253 | 0 | None | - | 3 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL263822 | 210590 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | |||||
168295131 | 192242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5205283 | 192242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(cc2)CSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
71456245 | 78976 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 608 | 9 | 2 | 6 | 6.2 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL2113039 | 78976 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 608 | 9 | 2 | 6 | 6.2 | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
1323 | 2688 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL2371969 | 210166 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C(C)C)NC1=O | 10.1021/jm0614275 | |||||
CHEMBL393075 | 212462 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2007.02.020 | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
1323 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
92432 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL430239 | 2688 | 55 | None | - | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
11375764 | 66689 | 0 | None | 398 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL185469 | 66689 | 0 | None | 398 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL380638 | 212271 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
118735101 | 118801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 824 | 15 | 9 | 6 | 2.4 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL3421678 | 118801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 824 | 15 | 9 | 6 | 2.4 | CC(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN([C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O | 10.1021/ml500436s | |||
CHEMBL2371972 | 210169 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCC(C3CCCCC3)CC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
137641157 | 157064 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4074074 | 157064 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1666 | 20 | 22 | 21 | -3.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
137653925 | 158607 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4092141 | 158607 | 0 | None | - | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1742 | 21 | 20 | 21 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL2112008 | 209226 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
CHEMBL5093939 | 215458 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
71456220 | 78748 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL2112604 | 78748 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1483 | 33 | 16 | 22 | -2.5 | CC(=O)[C@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
137660671 | 159218 | 0 | None | - | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1708 | 20 | 19 | 21 | -2.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4098785 | 159218 | 0 | None | - | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1708 | 20 | 19 | 21 | -2.8 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
44577514 | 172455 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
CHEMBL448081 | 172455 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 943 | 12 | 11 | 11 | 1.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701181n | |||
2726 | 919 | 68 | None | -112 | 72 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 919 | 68 | None | -112 | 72 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 919 | 68 | None | -112 | 72 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 919 | 68 | None | -112 | 72 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 919 | 68 | None | -112 | 72 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
168295644 | 192312 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5206336 | 192312 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1106 | 17 | 13 | 12 | 1.5 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL227833 | 209452 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
24774358 | 154904 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL400866 | 154904 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 811 | 9 | 10 | 8 | -0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)/C=C\C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL188459 | 209057 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL191120 | 209080 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
122184910 | 122555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601428 | 122555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1130 | 17 | 10 | 11 | 1.5 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
44408286 | 140668 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
CHEMBL381501 | 140668 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 8 | 2 | 5 | 5.5 | CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.11.095 | |||
9958649 | 124357 | 0 | None | 53 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | |||
CHEMBL363730 | 124357 | 0 | None | 53 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | |||
137641398 | 158316 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4089162 | 158316 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1694 | 20 | 20 | 21 | -3.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
11753695 | 8393 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 4 | 1 | 3 | 6.7 | CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 | 10.1016/j.bmcl.2010.02.058 | |||
CHEMBL1093304 | 8393 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 599 | 4 | 1 | 3 | 6.7 | CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 | 10.1016/j.bmcl.2010.02.058 | |||
44397410 | 124359 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
CHEMBL363740 | 124359 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 620 | 10 | 2 | 7 | 6.0 | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)c2=O)cc1 | 10.1016/j.bmcl.2005.06.033 | |||
52918026 | 60808 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL1761870 | 60808 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 6 | 3 | 4 | 4.2 | C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 | 10.1016/j.bmcl.2011.02.090 | |||
CHEMBL3349030 | 211405 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O | 10.1021/jm000211e | |||||
137658158 | 159717 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1714 | 21 | 22 | 21 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
CHEMBL4104465 | 159717 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1714 | 21 | 22 | 21 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.8b00170 | |||
44431513 | 145809 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1054 | 14 | 12 | 10 | 1.4 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
CHEMBL391704 | 145809 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1054 | 14 | 12 | 10 | 1.4 | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O | 10.1016/j.bmcl.2007.02.020 | |||
44445082 | 154302 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL398664 | 154302 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 799 | 9 | 10 | 8 | 0.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL3600921 | 211824 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL5087839 | 215120 | 0 | None | - | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
127053936 | 152240 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 598 | 11 | 2 | 4 | 5.7 | O=C(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCN2CCCCC2)N1 | nan | |||
CHEMBL3968918 | 152240 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 598 | 11 | 2 | 4 | 5.7 | O=C(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCN2CCCCC2)N1 | nan | |||
CHEMBL3600842 | 211819 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
168285801 | 191481 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
CHEMBL5193501 | 191481 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1135 | 17 | 13 | 12 | 2.2 | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)CSCc2cccc(c2)CSC1(C)C | 10.1021/acs.jmedchem.1c01848 | |||
44347838 | 96643 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
CHEMBL263585 | 96643 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1561 | 33 | 16 | 22 | -0.6 | CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C | 10.1021/jm030111j | |||
71452720 | 78971 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL2113031 | 78971 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
1337 | 3424 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
6918851 | 3424 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL364346 | 3424 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 582 | 7 | 2 | 4 | 4.7 | O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.05.109 | |||
176 | 398 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -5 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
122184577 | 122429 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3600838 | 122429 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1102 | 17 | 12 | 11 | 0.8 | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||
1212 | 1662 | 50 | None | -416 | 65 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
204 | 1662 | 50 | None | -416 | 65 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
3372 | 1662 | 50 | None | -416 | 65 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
CHEMBL726 | 1662 | 50 | None | -416 | 65 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
DB00623 | 1662 | 50 | None | -416 | 65 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
44348183 | 97165 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL268094 | 97165 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 1493 | 31 | 14 | 21 | -0.8 | CC(=O)[C@@H]1CSSC[C@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44396986 | 67432 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL188966 | 67432 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 4.3 | CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2NC3)CC1 | 10.1016/j.bmcl.2005.05.109 | |||
CHEMBL442504 | 213916 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
CHEMBL415165 | 213176 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL414718 | 213151 | 0 | None | -2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm0501432 | |||||
CHEMBL408843 | 212735 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
57646411 | 76921 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1739 | 49 | 24 | 20 | -1.7 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070245 | 76921 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1739 | 49 | 24 | 20 | -1.7 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
1324 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL1923667 | 209088 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm201226w | |||||
CHEMBL1923665 | 209087 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm201226w | |||||
CHEMBL266879 | 210706 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0501432 | |||||
CHEMBL2370964 | 209967 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
57646437 | 76922 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70684621 | 76922 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929804 | 76922 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070246 | 76922 | 0 | None | -10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1855 | 51 | 23 | 23 | -2.2 | CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
56851058 | 69073 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
57394091 | 69073 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
91930626 | 69073 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
CHEMBL1923666 | 69073 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1823 | 57 | 25 | 20 | -0.9 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
57646441 | 76920 | 0 | None | -13 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1706 | 46 | 22 | 20 | -1.4 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070243 | 76920 | 0 | None | -13 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1706 | 46 | 22 | 20 | -1.4 | CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
57817773 | 76925 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70684623 | 76925 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929806 | 76925 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070249 | 76925 | 0 | None | -58 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
9915636 | 66824 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL186083 | 66824 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
44395681 | 66870 | 0 | None | -70 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 567 | 13 | 3 | 6 | 3.8 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL186289 | 66870 | 0 | None | -70 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 567 | 13 | 3 | 6 | 3.8 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
16046215 | 80089 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1016/j.bmcl.2006.06.075 | |||
CHEMBL213122 | 80089 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1016/j.bmcl.2006.06.075 | |||
16046215 | 80089 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1021/jm701137s | |||
CHEMBL213122 | 80089 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 5.2 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)CC(C)C)c1 | 10.1021/jm701137s | |||
9915636 | 66824 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL186083 | 66824 | 0 | None | -48 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
156010247 | 177072 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 2913 | 40 | 44 | 46 | -16.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00485 | |||
CHEMBL4633001 | 177072 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 2913 | 40 | 44 | 46 | -16.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00485 | |||
44434706 | 89597 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237504 | 89597 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434860 | 90042 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238159 | 90042 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | N[C@H]1CC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434632 | 146309 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 375 | 10 | 2 | 2 | 4.4 | NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392096 | 146309 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 375 | 10 | 2 | 2 | 4.4 | NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434601 | 146468 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392223 | 146468 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44434870 | 148148 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393553 | 148148 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 8 | 2 | 2 | 5.9 | NC1CCCC(N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
71454518 | 79150 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 456 | 10 | 4 | 3 | 3.3 | NC(N)=NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL2113315 | 79150 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 456 | 10 | 4 | 3 | 3.3 | NC(N)=NCCC[C@H](N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
2817655 | 205571 | 5 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 297 | 4 | 1 | 1 | 5.3 | c1ccc2cc(CNCc3cccc4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8129 | 205571 | 5 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 297 | 4 | 1 | 1 | 5.3 | c1ccc2cc(CNCc3cccc4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
11191792 | 67186 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 4.7 | CC1C(=O)NCCN1/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL187757 | 67186 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 4.7 | CC1C(=O)NCCN1/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
9958649 | 124357 | 0 | None | 53 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | |||
CHEMBL363730 | 124357 | 0 | None | 53 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 | 10.1021/jm0400496 | |||
CHEMBL2070373 | 209186 | 0 | None | -14 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
44577062 | 193374 | 0 | None | -26 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL525177 | 193374 | 0 | None | -26 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44577090 | 178666 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 9 | 2 | 4 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467771 | 178666 | 0 | None | -109 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 502 | 9 | 2 | 4 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44577060 | 188052 | 0 | None | -316 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL497746 | 188052 | 0 | None | -316 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
44434692 | 88525 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 651 | 13 | 3 | 5 | 8.3 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235176 | 88525 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 651 | 13 | 3 | 5 | 8.3 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
44434841 | 88701 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 455 | 11 | 4 | 2 | 4.9 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236022 | 88701 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 455 | 11 | 4 | 2 | 4.9 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10137615 | 89736 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 9 | 2 | 2 | 5.4 | CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237692 | 89736 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 9 | 2 | 2 | 5.4 | CC(c1ccc(C(F)(F)F)cc1)N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434754 | 90236 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238345 | 90236 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434862 | 90248 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238368 | 90248 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434600 | 148602 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 361 | 9 | 2 | 2 | 4.0 | NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393918 | 148602 | 0 | None | 1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 361 | 9 | 2 | 2 | 4.0 | NCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434763 | 151343 | 0 | None | -17 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 685 | 13 | 3 | 5 | 9.0 | COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396111 | 151343 | 0 | None | -17 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 685 | 13 | 3 | 5 | 9.0 | COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
6918276 | 15611 | 7 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
CHEMBL1221512 | 15611 | 7 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | |||
168282596 | 190906 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 2990 | 66 | 33 | 37 | -3.8 | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5185132 | 190906 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 2990 | 66 | 33 | 37 | -3.8 | CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL2370966 | 209969 | 0 | None | 28 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
9960253 | 116949 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
CHEMBL338594 | 116949 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 595 | 8 | 3 | 6 | 2.8 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
24848995 | 117947 | 0 | None | -50 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL340355 | 117947 | 0 | None | -50 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 583 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
44415417 | 80146 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL213380 | 80146 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 5.5 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
23635235 | 166501 | 0 | None | -223 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL427860 | 166501 | 0 | None | -223 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
10232787 | 140381 | 0 | None | -165 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL380855 | 140381 | 0 | None | -165 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
24740419 | 148194 | 0 | None | -478 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.4 | Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 | 10.1021/jm701137s | |||
CHEMBL393584 | 148194 | 0 | None | -478 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.4 | Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 | 10.1021/jm701137s | |||
44397281 | 126544 | 0 | None | -109 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 587 | 12 | 3 | 5 | 4.0 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL365237 | 126544 | 0 | None | -109 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 587 | 12 | 3 | 5 | 4.0 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCCc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
44434694 | 88601 | 0 | None | -5 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 665 | 14 | 3 | 5 | 8.7 | CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235589 | 88601 | 0 | None | -5 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 665 | 14 | 3 | 5 | 8.7 | CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | |||
44434611 | 88614 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235627 | 88614 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44435220 | 89252 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 609 | 10 | 2 | 3 | 8.9 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236803 | 89252 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 609 | 10 | 2 | 3 | 8.9 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434701 | 89501 | 0 | None | -9 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237291 | 89501 | 0 | None | -9 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | |||
10177247 | 89514 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237314 | 89514 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434599 | 89919 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 7 | 2 | 2 | 3.7 | NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237957 | 89919 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 7 | 2 | 2 | 3.7 | NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434581 | 167051 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL428903 | 167051 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
71461662 | 79116 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 442 | 9 | 4 | 3 | 3.2 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL2113280 | 79116 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 442 | 9 | 4 | 3 | 3.2 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1cccc2ccccc12)Cc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL2070374 | 209187 | 0 | None | -22 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
44577092 | 178645 | 0 | None | -11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467586 | 178645 | 0 | None | -11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.6 | CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44347119 | 114423 | 0 | None | -346 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL333178 | 114423 | 0 | None | -346 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 752 | 9 | 10 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44433294 | 153043 | 0 | None | -676 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL397580 | 153043 | 0 | None | -676 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.6 | CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
23653113 | 88652 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235798 | 88652 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434616 | 88695 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236003 | 88695 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434570 | 89779 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237719 | 89779 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434598 | 89816 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237743 | 89816 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168289584 | 191786 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 3108 | 98 | 37 | 41 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5198158 | 191786 | 0 | None | -10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 3108 | 98 | 37 | 41 | -6.4 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL2370968 | 209971 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44347331 | 16327 | 0 | None | -257 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
CHEMBL122773 | 16327 | 0 | None | -257 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
44323234 | 168056 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL432377 | 168056 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
11226756 | 119974 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
CHEMBL349850 | 119974 | 0 | None | -23 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 8 | 2 | 5 | 3.5 | CN(C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm0304109 | |||
10211466 | 168900 | 0 | None | -19 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.1 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL438432 | 168900 | 0 | None | -19 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.1 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2(C)NCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44397283 | 67166 | 0 | None | -112 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL187659 | 67166 | 0 | None | -112 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 591 | 11 | 3 | 5 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3ccccc3F)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
44393418 | 155700 | 0 | None | -14 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL405150 | 155700 | 0 | None | -14 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
2852098 | 205464 | 13 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8045 | 205464 | 13 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
11272524 | 66863 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 6 | 2 | 2 | 6.9 | CC1CC(C)CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL186249 | 66863 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 6 | 2 | 2 | 6.9 | CC1CC(C)CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
57817730 | 76923 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70684622 | 76923 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929805 | 76923 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070247 | 76923 | 0 | None | -75 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1919 | 56 | 24 | 26 | -3.5 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL438235 | 213759 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
44347221 | 16635 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL124169 | 16635 | 0 | None | -173 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 903 | 11 | 12 | 9 | 0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
16132144 | 209279 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | |||||
16133793 | 209279 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | |||||
44273719 | 209279 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | |||||
CHEMBL214332 | 209279 | 36 | None | -100 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | 10.1021/jm201489a | |||||
44265672 | 10181 | 0 | None | -6 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 442 | 10 | 5 | 3 | 3.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159699 | 10181 | 0 | None | -6 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 442 | 10 | 5 | 3 | 3.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44265707 | 10184 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 354 | 10 | 3 | 4 | 2.1 | C=CCOC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159701 | 10184 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 354 | 10 | 3 | 4 | 2.1 | C=CCOC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434790 | 90239 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 7 | 4 | 2 | 3.4 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238353 | 90239 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 399 | 7 | 4 | 2 | 3.4 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434703 | 146108 | 0 | None | -12 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391944 | 146108 | 0 | None | -12 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 499 | 9 | 2 | 2 | 7.3 | Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434765 | 161771 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 643 | 11 | 3 | 3 | 9.1 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL413982 | 161771 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 643 | 11 | 3 | 3 | 9.1 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
51346771 | 58226 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 671 | 10 | 2 | 9 | 3.3 | COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3 | 10.1016/j.bmcl.2011.01.011 | |||
CHEMBL1682208 | 58226 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 671 | 10 | 2 | 9 | 3.3 | COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3 | 10.1016/j.bmcl.2011.01.011 | |||
CHEMBL2370553 | 209870 | 0 | None | -10 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
44400935 | 70862 | 0 | None | -104 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 613 | 10 | 2 | 5 | 5.5 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL195110 | 70862 | 0 | None | -104 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 613 | 10 | 2 | 5 | 5.5 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1 | 10.1016/j.bmcl.2005.03.053 | |||
44432966 | 146301 | 0 | None | -1659 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 560 | 14 | 0 | 6 | 6.7 | COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
CHEMBL392092 | 146301 | 0 | None | -1659 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 560 | 14 | 0 | 6 | 6.7 | COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
44393417 | 96591 | 0 | None | -40 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL263182 | 96591 | 0 | None | -40 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 8 | 2 | 7 | 3.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2Cn2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44434865 | 88750 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 10 | 4 | 3 | 6.5 | NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236226 | 88750 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 589 | 10 | 4 | 3 | 6.5 | NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
10200110 | 89733 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237687 | 89733 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434828 | 148122 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393532 | 148122 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434702 | 149513 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394646 | 149513 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)c1 | 10.1016/j.bmc.2007.06.003 | |||
138106885 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
36314 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
CHEMBL428647 | 166911 | 75 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | nan | |||
CHEMBL2370963 | 209966 | 0 | None | -11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
10408 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | |||||
5329 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | |||||
9941379 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | |||||
CHEMBL2070241 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | |||||
DB11653 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 10.1021/jm201489a | |||||
16007285 | 81122 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 10 | 2 | 4 | 5.8 | CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL215659 | 81122 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 586 | 10 | 2 | 4 | 5.8 | CCC(C)[C@H](NC(=O)CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL409049 | 212745 | 0 | None | -141 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CSSC1(C)C | 10.1021/jm030119t | |||||
44434855 | 90030 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238154 | 90030 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44393441 | 66429 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 502 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL185195 | 66429 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 502 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44392514 | 123867 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL362670 | 123867 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H]2CCCC[C@@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44434794 | 88520 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235147 | 88520 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434850 | 89174 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236645 | 89174 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434656 | 90023 | 0 | None | -6 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 10 | 2 | 2 | 5.2 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238136 | 90023 | 0 | None | -6 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 10 | 2 | 2 | 5.2 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
11284919 | 66190 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 7.3 | Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)cc3)NC3CCCCC3)CC2)c1 | 10.1021/jm0400496 | |||
CHEMBL184385 | 66190 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 605 | 7 | 2 | 3 | 7.3 | Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)NCCc4ccc(Cl)cc4Cl)cc3)NC3CCCCC3)CC2)c1 | 10.1021/jm0400496 | |||
CHEMBL420167 | 213242 | 0 | None | -11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||||
11341045 | 66166 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL184275 | 66166 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
23635107 | 91558 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | |||
CHEMBL240571 | 91558 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1021/jm070806a | |||
23635107 | 91558 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL240571 | 91558 | 0 | None | -63 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 9 | 2 | 4 | 4.3 | CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44562440 | 179041 | 0 | None | -27 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL471340 | 179041 | 0 | None | -27 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.7 | CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
44392535 | 64272 | 0 | None | -33 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 8 | 2 | 7 | 2.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL180937 | 64272 | 0 | None | -33 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 575 | 8 | 2 | 7 | 2.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44434872 | 88564 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235382 | 88564 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434758 | 88694 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 755 | 14 | 3 | 5 | 9.6 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236002 | 88694 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 755 | 14 | 3 | 5 | 9.6 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
9924916 | 89009 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236447 | 89009 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434781 | 89904 | 0 | None | -23 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 2 | 2 | 7.0 | NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237919 | 89904 | 0 | None | -23 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 485 | 9 | 2 | 2 | 7.0 | NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
9969456 | 147617 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393125 | 147617 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434863 | 148144 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393552 | 148144 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
2163781 | 97377 | 9 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269653 | 97377 | 9 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
168281969 | 191278 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5190661 | 191278 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL1201469 | 14507 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | nan | |||||
CHEMBL438030 | 213744 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44397304 | 126826 | 0 | None | -158 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 579 | 11 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL365465 | 126826 | 0 | None | -158 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 579 | 11 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNCc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
10270570 | 89033 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236450 | 89033 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434639 | 148157 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393557 | 148157 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168273045 | 190254 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2905 | 62 | 33 | 37 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5175392 | 190254 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2905 | 62 | 33 | 37 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
168281969 | 191278 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5190661 | 191278 | 0 | None | -13 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 3072 | 100 | 37 | 39 | -7.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
11375764 | 66689 | 0 | None | 398 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL185469 | 66689 | 0 | None | 398 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
59149264 | 76802 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70684624 | 76802 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929810 | 76802 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2069317 | 76802 | 0 | None | -22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1946 | 57 | 23 | 26 | -3.0 | CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL331259 | 211361 | 0 | None | -70 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | |||||
44410802 | 140385 | 0 | None | -114 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 633 | 12 | 1 | 5 | 5.3 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL380858 | 140385 | 0 | None | -114 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 633 | 12 | 1 | 5 | 5.3 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2c3ccccc3CN2C)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44434661 | 88513 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.4 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235136 | 88513 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.4 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434683 | 89303 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 10 | 3 | 3 | 4.9 | C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236847 | 89303 | 0 | None | -5 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 10 | 3 | 3 | 4.9 | C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | |||
9946358 | 151958 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396655 | 151958 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434635 | 168887 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL438334 | 168887 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
11364326 | 66686 | 0 | None | 27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL185455 | 66686 | 0 | None | 27 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.2 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL410168 | 212804 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
CHEMBL427629 | 213357 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
1334 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
16133814 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
CHEMBL437050 | 1501 | 7 | None | -3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
16038315 | 138758 | 0 | None | -309 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 612 | 13 | 3 | 7 | 3.5 | COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2006.04.069 | |||
CHEMBL378046 | 138758 | 0 | None | -309 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 612 | 13 | 3 | 7 | 3.5 | COc1ccccc1CCNCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2006.04.069 | |||
44434685 | 89171 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 497 | 14 | 3 | 3 | 6.3 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236638 | 89171 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 497 | 14 | 3 | 3 | 6.3 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434839 | 88653 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235802 | 88653 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434767 | 89735 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 616 | 11 | 3 | 4 | 8.2 | N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237689 | 89735 | 0 | None | -14 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 616 | 11 | 3 | 4 | 8.2 | N#Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434682 | 148604 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 451 | 13 | 2 | 2 | 6.1 | NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393919 | 148604 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 451 | 13 | 2 | 2 | 6.1 | NCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434771 | 148790 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 627 | 11 | 3 | 3 | 8.6 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394073 | 148790 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 627 | 11 | 3 | 3 | 8.6 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
4189 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 206922 | 96 | None | -61 | 34 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
2247 | 505 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 505 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 505 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 505 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 505 | 81 | None | -63 | 42 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL2370533 | 209868 | 0 | None | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm010165y | |||||
CHEMBL263878 | 210598 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
156015336 | 177519 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 3793 | 77 | 53 | 60 | -15.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2 | 10.1021/acs.jmedchem.0c00485 | |||
CHEMBL4639782 | 177519 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 3793 | 77 | 53 | 60 | -15.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2 | 10.1021/acs.jmedchem.0c00485 | |||
44434652 | 89901 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 12 | 2 | 2 | 5.2 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237912 | 89901 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 403 | 12 | 2 | 2 | 5.2 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434707 | 149547 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394667 | 149547 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
10077773 | 87267 | 4 | None | -1122 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 14 | 1 | 6 | 7.4 | CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
CHEMBL233135 | 87267 | 4 | None | -1122 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 559 | 14 | 1 | 6 | 7.4 | CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
44434769 | 89739 | 0 | None | -13 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 659 | 11 | 3 | 3 | 9.6 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237698 | 89739 | 0 | None | -13 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 659 | 11 | 3 | 3 | 9.6 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434857 | 154427 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL398980 | 154427 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
168286369 | 191712 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2962 | 64 | 33 | 37 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5197030 | 191712 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 2962 | 64 | 33 | 37 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
168283984 | 191246 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2937 | 64 | 35 | 39 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5190172 | 191246 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2937 | 64 | 35 | 39 | -7.9 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
11785639 | 127463 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.3 | NC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | |||
CHEMBL366036 | 127463 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 5.3 | NC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | |||
44400812 | 71300 | 0 | None | -457 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 667 | 12 | 3 | 5 | 6.3 | O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL195734 | 71300 | 0 | None | -457 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 667 | 12 | 3 | 5 | 6.3 | O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
11156852 | 65685 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL183434 | 65685 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
11156852 | 65685 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm049278i | |||
CHEMBL183434 | 65685 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 531 | 7 | 3 | 5 | 2.9 | NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1021/jm049278i | |||
44434592 | 89515 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237315 | 89515 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434753 | 89734 | 0 | None | -9 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 699 | 12 | 3 | 4 | 9.1 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237688 | 89734 | 0 | None | -9 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 699 | 12 | 3 | 4 | 9.1 | COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
10159196 | 89738 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237694 | 89738 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10269187 | 90116 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238180 | 90116 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.5 | NCCCN(C(=O)c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434868 | 149551 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 635 | 11 | 5 | 4 | 6.7 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394669 | 149551 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 635 | 11 | 5 | 4 | 6.7 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL407809 | 212685 | 0 | None | -851 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL433645 | 213643 | 0 | None | -6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)[C@H]1CCCCNC(=O)C[C@H](N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||||
CHEMBL428326 | 213438 | 0 | None | -47 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm0501432 | |||||
24873537 | 146061 | 0 | None | -20 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | |||
CHEMBL391902 | 146061 | 0 | None | -20 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | |||
11181804 | 128507 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 641 | 11 | 3 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL366706 | 128507 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 641 | 11 | 3 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
44434562 | 88698 | 0 | None | -301 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 10 | 3 | 5 | 3.9 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmc.2007.05.026 | |||
CHEMBL236014 | 88698 | 0 | None | -301 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 10 | 3 | 5 | 3.9 | CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmc.2007.05.026 | |||
44347378 | 114435 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 818 | 11 | 11 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL333262 | 114435 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 818 | 11 | 11 | 9 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44434843 | 88700 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236020 | 88700 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434657 | 90234 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238341 | 90234 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
1016 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 3747 | 78 | None | -66 | 35 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL2221249 | 209443 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | nan | |||||
168271899 | 190601 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 3020 | 70 | 35 | 39 | -5.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5180727 | 190601 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 3020 | 70 | 35 | 39 | -5.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
44433264 | 89351 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 598 | 8 | 1 | 4 | 5.9 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
CHEMBL236940 | 89351 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 598 | 8 | 1 | 4 | 5.9 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
44347379 | 114436 | 0 | None | -4 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 750 | 9 | 9 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL333263 | 114436 | 0 | None | -4 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 750 | 9 | 9 | 7 | 0.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(C(N)=O)N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44265496 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL267020 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
9968756 | 89509 | 0 | None | -15 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237299 | 89509 | 0 | None | -15 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
10292084 | 148395 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393755 | 148395 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434614 | 151584 | 1 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396341 | 151584 | 1 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265496 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL267020 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL266417 | 210683 | 0 | None | -8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
44322868 | 106008 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL313279 | 106008 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 917 | 11 | 12 | 9 | 0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
11341046 | 66880 | 0 | None | 57 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186339 | 66880 | 0 | None | 57 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
44394079 | 126765 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 653 | 11 | 3 | 5 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL365278 | 126765 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 653 | 11 | 3 | 5 | 4.9 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2ccccc2F)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2004.06.059 | |||
71461657 | 79039 | 0 | None | 4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 6 | 2 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | |||
CHEMBL2113144 | 79039 | 0 | None | 4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 556 | 6 | 2 | 4 | 4.3 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | |||
44434845 | 147903 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 4 | 2 | 6.5 | N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393350 | 147903 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 527 | 10 | 4 | 2 | 6.5 | N=C(N)NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
2750 | 204061 | 76 | None | -15 | 12 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
CHEMBL7002 | 204061 | 76 | None | -15 | 12 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
CHEMBL439128 | 213825 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
10033237 | 69071 | 0 | None | -158 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | |||
CHEMBL1923662 | 69071 | 0 | None | -158 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | |||
CHEMBL2070254 | 209185 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
11296600 | 122943 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 628 | 9 | 4 | 6 | 3.8 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL360716 | 122943 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 628 | 9 | 4 | 6 | 3.8 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
44347106 | 115060 | 0 | None | -46 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 738 | 9 | 10 | 7 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL334309 | 115060 | 0 | None | -46 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 738 | 9 | 10 | 7 | 0.1 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44265496 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL267020 | 97049 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
10132207 | 88651 | 0 | None | -7 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235797 | 88651 | 0 | None | -7 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434843 | 88700 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236020 | 88700 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 587 | 11 | 4 | 2 | 7.6 | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL268851 | 210769 | 0 | None | -33 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||||
168279695 | 191135 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5188196 | 191135 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
168285313 | 191401 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5192562 | 191401 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
6918814 | 127057 | 1 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL365597 | 127057 | 1 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
58777892 | 79044 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 3.9 | CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 | 10.1016/j.bmcl.2005.07.035 | |||
CHEMBL2113149 | 79044 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 599 | 7 | 2 | 5 | 3.9 | CN(C)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 | 10.1016/j.bmcl.2005.07.035 | |||
44434799 | 88603 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235592 | 88603 | 0 | None | 1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 8 | 4 | 2 | 3.8 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434653 | 145815 | 0 | None | -36 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 12 | 2 | 2 | 5.7 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391706 | 145815 | 0 | None | -36 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 12 | 2 | 2 | 5.7 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265347 | 96967 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL266305 | 96967 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
11192466 | 66087 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 7 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL183842 | 66087 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 7 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 | 10.1021/jm0400496 | |||
9946241 | 89432 | 0 | None | -7 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237079 | 89432 | 0 | None | -7 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434687 | 159492 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 465 | 14 | 2 | 2 | 6.5 | NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL410179 | 159492 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 465 | 14 | 2 | 2 | 6.5 | NCCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
70688853 | 76924 | 0 | None | -9 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1495 | 39 | 18 | 16 | -0.1 | CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070248 | 76924 | 0 | None | -9 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1495 | 39 | 18 | 16 | -0.1 | CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
57817763 | 76927 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70690940 | 76927 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929808 | 76927 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070251 | 76927 | 0 | None | -38 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1988 | 59 | 26 | 26 | -3.2 | CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
59149255 | 76928 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70693082 | 76928 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929809 | 76928 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070252 | 76928 | 0 | None | -13 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1960 | 58 | 24 | 26 | -2.5 | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
56851059 | 69074 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
57390568 | 69074 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
91930628 | 69074 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
CHEMBL1923668 | 69074 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1784 | 57 | 24 | 20 | -1.4 | C#CCCCC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)C(C)C | 10.1021/jm201226w | |||
168279695 | 191135 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5188196 | 191135 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 66 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
44400864 | 124325 | 0 | None | -177 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.0 | CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL363576 | 124325 | 0 | None | -177 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 11 | 3 | 5 | 5.0 | CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
11410616 | 65274 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 579 | 7 | 2 | 5 | 5.7 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ncccn3)CC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL182844 | 65274 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 579 | 7 | 2 | 5 | 5.7 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(c3ncccn3)CC2)cc1 | 10.1021/jm0400496 | |||
44322869 | 106160 | 0 | None | -28 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL313690 | 106160 | 0 | None | -28 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 11 | 12 | 9 | -0.4 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44434603 | 89913 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 409 | 10 | 2 | 2 | 4.9 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237935 | 89913 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 409 | 10 | 2 | 2 | 4.9 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434686 | 146600 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 407 | 11 | 3 | 3 | 4.7 | CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392316 | 146600 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 407 | 11 | 3 | 3 | 4.7 | CC(Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 | 10.1016/j.bmc.2007.06.003 | |||
23635237 | 91453 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | |||
CHEMBL240364 | 91453 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1021/jm070806a | |||
23635237 | 91453 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL240364 | 91453 | 0 | None | -53 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 498 | 9 | 2 | 4 | 4.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | |||
44434688 | 89173 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236640 | 89173 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434690 | 89306 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236861 | 89306 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434587 | 89438 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 2 | 3 | 3.9 | NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237094 | 89438 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 391 | 6 | 2 | 3 | 3.9 | NCCN(C(=O)[C@H](N)Cc1ccc(Cl)cc1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434849 | 146856 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392521 | 146856 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
168295173 | 192311 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5206293 | 192311 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
44562414 | 176817 | 0 | None | -13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL460942 | 176817 | 0 | None | -13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 3.9 | CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL2370965 | 209968 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O | 10.1021/jm030119t | |||||
44434597 | 89613 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237530 | 89613 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 3.9 | NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44577093 | 178646 | 0 | None | -42 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467587 | 178646 | 0 | None | -42 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 9 | 2 | 5 | 4.7 | COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 | 10.1016/j.bmc.2008.03.072 | |||
23635235 | 166501 | 0 | None | -223 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1021/jm070806a | |||
CHEMBL427860 | 166501 | 0 | None | -223 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1021/jm070806a | |||
23635236 | 91601 | 0 | None | -60 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL240780 | 91601 | 0 | None | -60 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44434584 | 151942 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396638 | 151942 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10180932 | 89407 | 0 | None | -6 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237051 | 89407 | 0 | None | -6 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434658 | 90235 | 0 | None | -3 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238342 | 90235 | 0 | None | -3 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
10225762 | 145817 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 448 | 14 | 2 | 3 | 5.5 | CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391707 | 145817 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 448 | 14 | 2 | 3 | 5.5 | CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
2683 | 102888 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
CHEMBL305906 | 102888 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
CHEMBL334255 | 102888 | 25 | None | -478 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | |||
44400934 | 70613 | 0 | None | -173 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 10 | 2 | 5 | 4.9 | CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL194987 | 70613 | 0 | None | -173 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 587 | 10 | 2 | 5 | 4.9 | CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44400813 | 71086 | 0 | None | -120 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 12 | 4 | 6 | 3.9 | O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL195308 | 71086 | 0 | None | -120 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 12 | 4 | 6 | 3.9 | O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
11785893 | 67020 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 6 | 2 | 3 | 6.0 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)O1 | 10.1021/jm0400496 | |||
CHEMBL187022 | 67020 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 6 | 2 | 3 | 6.0 | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)O1 | 10.1021/jm0400496 | |||
10108894 | 89737 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237693 | 89737 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
44434621 | 146305 | 0 | None | -11 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 561 | 9 | 1 | 5 | 6.4 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392094 | 146305 | 0 | None | -11 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 561 | 9 | 1 | 5 | 6.4 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | |||
11477853 | 66894 | 0 | None | 38 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL186439 | 66894 | 0 | None | 38 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
44434568 | 89176 | 0 | None | -81 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 8 | 2 | 5 | 4.8 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
CHEMBL236650 | 89176 | 0 | None | -81 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 8 | 2 | 5 | 4.8 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCNCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
23635236 | 91601 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm070806a | |||
CHEMBL240780 | 91601 | 0 | None | -60 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 4.6 | CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm070806a | |||
11443753 | 66846 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 10 | 2 | 2 | 7.0 | CCCN(CCC)/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL186189 | 66846 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 10 | 2 | 2 | 7.0 | CCCN(CCC)/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
44434696 | 149198 | 0 | None | -36 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 609 | 11 | 3 | 3 | 8.4 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394394 | 149198 | 0 | None | -36 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 609 | 11 | 3 | 3 | 8.4 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265487 | 97383 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269689 | 97383 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
10025669 | 97392 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269776 | 97392 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
25444 | 155651 | 6 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | |||
CHEMBL404811 | 155651 | 6 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 1229 | 14 | 17 | 29 | -6.5 | C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)C(O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C | nan | |||
CHEMBL412523 | 213000 | 0 | None | -125 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
8447 | 188949 | 84 | None | -50 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
CHEMBL508112 | 188949 | 84 | None | -50 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | |||
44265711 | 206989 | 0 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9138 | 206989 | 0 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434847 | 88957 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 553 | 11 | 4 | 2 | 7.0 | N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236442 | 88957 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 553 | 11 | 4 | 2 | 7.0 | N=C(N)NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434864 | 90249 | 0 | None | -13 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238369 | 90249 | 0 | None | -13 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
3198 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 205513 | 76 | None | -81 | 34 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
44433439 | 89924 | 0 | None | -44 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | |||
CHEMBL237976 | 89924 | 0 | None | -44 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 4.8 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 | 10.1016/j.bmcl.2007.09.079 | |||
44434684 | 146599 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392315 | 146599 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265312 | 205667 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8208 | 205667 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 286 | 4 | 2 | 1 | 4.6 | c1ccc2c(CNCc3c[nH]c4ccccc34)cccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
51346770 | 58227 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 643 | 11 | 2 | 8 | 3.5 | COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O | 10.1016/j.bmcl.2011.01.011 | |||
CHEMBL1682209 | 58227 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 643 | 11 | 2 | 8 | 3.5 | COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O | 10.1016/j.bmcl.2011.01.011 | |||
44577094 | 178647 | 0 | None | -117 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 546 | 10 | 1 | 4 | 5.3 | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467588 | 178647 | 0 | None | -117 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 546 | 10 | 1 | 4 | 5.3 | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
44434766 | 154714 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL399810 | 154714 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44320339 | 206123 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL85918 | 206123 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
10025669 | 97392 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL269776 | 97392 | 0 | None | -57 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL385465 | 212351 | 0 | None | -44 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
CHEMBL2070244 | 209184 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
59149266 | 76926 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
70693081 | 76926 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929807 | 76926 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070250 | 76926 | 0 | None | -234 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1918 | 56 | 24 | 26 | -3.6 | CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
44347331 | 16327 | 0 | None | -257 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
CHEMBL122773 | 16327 | 0 | None | -257 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 794 | 10 | 9 | 7 | 1.3 | CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)CCCCNC1=O | 10.1021/jm010165y | |||
44577063 | 188100 | 0 | None | -74 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 8 | 1 | 4 | 4.9 | CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL498150 | 188100 | 0 | None | -74 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 8 | 1 | 4 | 4.9 | CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | |||
71458055 | 79028 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 599 | 6 | 2 | 5 | 3.7 | CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21 | 10.1016/j.bmcl.2005.07.035 | |||
CHEMBL2113133 | 79028 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 599 | 6 | 2 | 5 | 3.7 | CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21 | 10.1016/j.bmcl.2005.07.035 | |||
44434689 | 89175 | 0 | None | -33 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 431 | 14 | 2 | 2 | 5.9 | NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236649 | 89175 | 0 | None | -33 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 431 | 14 | 2 | 2 | 5.9 | NCCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434861 | 90247 | 0 | None | -9 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238367 | 90247 | 0 | None | -9 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | N[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
168285313 | 191401 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5192562 | 191401 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
44265374 | 206488 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8825 | 206488 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL415661 | 213198 | 0 | None | -295 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
10283036 | 140243 | 0 | None | -72 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 5.2 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C(C)(C)N2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL380540 | 140243 | 0 | None | -72 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 5.2 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2Cc3ccccc3C(C)(C)N2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44265749 | 207222 | 0 | None | -4 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9274 | 207222 | 0 | None | -4 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434778 | 89743 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237702 | 89743 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10178845 | 89914 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 8 | 2 | 3 | 3.8 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237937 | 89914 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 8 | 2 | 3 | 3.8 | NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434762 | 153010 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL397550 | 153010 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
44265309 | 205662 | 1 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8201 | 205662 | 1 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
68617 | 205527 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
CHEMBL1709 | 205527 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
CHEMBL809 | 205527 | 62 | None | -21 | 26 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | |||
11433304 | 66669 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 591 | 8 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL185398 | 66669 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 591 | 8 | 2 | 3 | 6.9 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm0400496 | |||
44434704 | 89172 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236639 | 89172 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 605 | 11 | 3 | 3 | 8.6 | Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434780 | 148172 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 525 | 8 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393568 | 148172 | 0 | None | -9 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 525 | 8 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)C3CCc4ccccc4C3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265351 | 205765 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 426 | 8 | 2 | 3 | 4.7 | N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8287 | 205765 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 426 | 8 | 2 | 3 | 4.7 | N[C@H](CCC(=O)O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
56851057 | 69072 | 0 | None | -190 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1069 | 34 | 13 | 10 | 1.3 | C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1021/jm201226w | |||
CHEMBL1923664 | 69072 | 0 | None | -190 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1069 | 34 | 13 | 10 | 1.3 | C#CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O | 10.1021/jm201226w | |||
44434662 | 88514 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235137 | 88514 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434636 | 89300 | 0 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 469 | 12 | 3 | 3 | 5.6 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236841 | 89300 | 0 | None | 1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 469 | 12 | 3 | 3 | 5.6 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434647 | 89590 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237483 | 89590 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
44397028 | 124031 | 0 | None | -61 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL363019 | 124031 | 0 | None | -61 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2005.05.017 | |||
44434690 | 89306 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236861 | 89306 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265472 | 206355 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8742 | 206355 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL441760 | 213896 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC1=O | 10.1021/jm030119t | |||||
44397030 | 67369 | 0 | None | -57 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL188651 | 67369 | 0 | None | -57 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
44347105 | 113346 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL331728 | 113346 | 0 | None | -43 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 724 | 9 | 10 | 7 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44434854 | 90029 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238153 | 90029 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44434855 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238154 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44347082 | 163908 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL420727 | 163908 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44347081 | 168627 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL436169 | 168627 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44434772 | 88597 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235582 | 88597 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434690 | 89306 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236861 | 89306 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10109225 | 154672 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 361 | 8 | 2 | 3 | 3.2 | NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL399624 | 154672 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 361 | 8 | 2 | 3 | 3.2 | NCCCN(C/C=C/c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434867 | 88523 | 0 | None | -22 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235162 | 88523 | 0 | None | -22 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)NC2CCCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434714 | 148392 | 0 | None | -10 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393753 | 148392 | 0 | None | -10 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL2070242 | 209183 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||||
11237444 | 127465 | 0 | None | 245 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL366042 | 127465 | 0 | None | 245 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 8 | 4 | 3 | 5.4 | CC(C)(N)C/N=C(\Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1 | 10.1021/jm0400496 | |||
11249545 | 66204 | 0 | None | 61 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | |||
CHEMBL184432 | 66204 | 0 | None | 61 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 6 | 3 | 3 | 5.6 | C[C@H]1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)[C@H](C)CN1 | 10.1021/jm0400496 | |||
11752660 | 66177 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 6 | 2 | 3 | 5.1 | CN1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | |||
CHEMBL184323 | 66177 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 515 | 6 | 2 | 3 | 5.1 | CN1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC1 | 10.1021/jm0400496 | |||
16007264 | 79720 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
CHEMBL211564 | 79720 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2006.05.088 | |||
16007264 | 79720 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | |||
CHEMBL211564 | 79720 | 0 | None | -26 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 572 | 9 | 2 | 4 | 5.5 | CC(C)C[C@H](NC(=O)CN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 | 10.1021/jm701137s | |||
44347110 | 114109 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 681 | 9 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL332762 | 114109 | 0 | None | -5 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 681 | 9 | 9 | 7 | 0.6 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
1338 | 3807 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | |||
9938402 | 3807 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | |||
CHEMBL339053 | 3807 | 43 | None | -154 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1021/jm0311285 | |||
44434713 | 89596 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237502 | 89596 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434855 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238154 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44265713 | 206831 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 364 | 6 | 3 | 4 | 1.9 | O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9048 | 206831 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 364 | 6 | 3 | 4 | 1.9 | O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434663 | 88515 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 13 | 3 | 3 | 5.9 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235138 | 88515 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 483 | 13 | 3 | 3 | 5.9 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
24740655 | 89086 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL236521 | 89086 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1016/j.bmcl.2007.07.097 | |||
24740655 | 89086 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
CHEMBL236521 | 89086 | 0 | None | -891 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 643 | 12 | 1 | 5 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
44434760 | 88517 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 519 | 9 | 2 | 2 | 7.6 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235140 | 88517 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 519 | 9 | 2 | 2 | 7.6 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434764 | 88560 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 551 | 10 | 2 | 2 | 7.8 | NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235358 | 88560 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 551 | 10 | 2 | 2 | 7.8 | NC1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10157774 | 89301 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236842 | 89301 | 0 | None | -3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434859 | 90034 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238158 | 90034 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | NC1CCCC(NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)C1 | 10.1016/j.bmc.2007.06.003 | |||
168295173 | 192311 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
CHEMBL5206293 | 192311 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 2967 | 62 | 33 | 39 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CC(C)C)CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O | 10.1021/acs.jmedchem.2c00786 | |||
44456219 | 155438 | 0 | None | -112 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | |||
CHEMBL403806 | 155438 | 0 | None | -112 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | |||
44347219 | 16580 | 0 | None | -1071 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||
CHEMBL123938 | 16580 | 0 | None | -1071 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 781 | 9 | 10 | 8 | 0.2 | NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 | 10.1021/jm010165y | |||
25211670 | 174260 | 0 | None | -56 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.0 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL454916 | 174260 | 0 | None | -56 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 4.0 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
44562460 | 189265 | 0 | None | -165 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 10 | 3 | 5 | 3.8 | CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL511826 | 189265 | 0 | None | -165 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 10 | 3 | 5 | 3.8 | CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
6918850 | 125422 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL364560 | 125422 | 1 | None | -154 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 631 | 12 | 3 | 6 | 3.6 | COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1 | 10.1016/j.bmcl.2005.05.017 | |||
44434690 | 89306 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236861 | 89306 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434654 | 90021 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.4 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238134 | 90021 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.4 | NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434665 | 147949 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 378 | 10 | 3 | 3 | 3.2 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393383 | 147949 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 378 | 10 | 3 | 3 | 3.2 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 88597 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235582 | 88597 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434778 | 89743 | 0 | None | -10 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237702 | 89743 | 0 | None | -10 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434595 | 148872 | 0 | None | -7 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 419 | 9 | 2 | 3 | 5.6 | CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394149 | 148872 | 0 | None | -7 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 419 | 9 | 2 | 3 | 5.6 | CC(c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
6918844 | 168622 | 1 | None | -173 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 606 | 12 | 2 | 6 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL436122 | 168622 | 1 | None | -173 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 606 | 12 | 2 | 6 | 5.3 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF | 10.1016/j.bmcl.2005.03.053 | |||
11179871 | 124224 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 4.5 | O=C1CN(/C(=N\C2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1 | 10.1021/jm0400496 | |||
CHEMBL363440 | 124224 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 6 | 3 | 3 | 4.5 | O=C1CN(/C(=N\C2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1 | 10.1021/jm0400496 | |||
44434855 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238154 | 90030 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44265591 | 172043 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL447178 | 172043 | 0 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | |||
44434634 | 89299 | 0 | None | -31 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 557 | 11 | 1 | 5 | 6.5 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236840 | 89299 | 0 | None | -31 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 557 | 11 | 1 | 5 | 6.5 | COc1ccc2c(c1)c(CC(=O)N(CCCCN)C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44323020 | 168996 | 0 | None | -741 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL439188 | 168996 | 0 | None | -741 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 951 | 11 | 12 | 9 | 1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL1923663 | 209086 | 0 | None | -31 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm201226w | |||||
10134057 | 88657 | 0 | None | -32 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 3.6 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235815 | 88657 | 0 | None | -32 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 3.6 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
11786860 | 66334 | 1 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 614 | 9 | 4 | 6 | 3.4 | CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL185035 | 66334 | 1 | None | -45 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 614 | 9 | 4 | 6 | 3.4 | CC(N[C@H]1CCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2004.06.059 | |||
44432964 | 87453 | 0 | None | -1513 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 14 | 0 | 5 | 7.2 | CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
CHEMBL233372 | 87453 | 0 | None | -1513 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 14 | 0 | 5 | 7.2 | CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
CHEMBL2370154 | 209801 | 0 | None | -6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm020021z | |||||
11215758 | 66079 | 0 | None | -125 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 624 | 9 | 3 | 6 | 5.0 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
CHEMBL183799 | 66079 | 0 | None | -125 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 624 | 9 | 3 | 6 | 5.0 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
24180592 | 97013 | 0 | None | -177 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | |||
CHEMBL266647 | 97013 | 0 | None | -177 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | |||
44265708 | 166819 | 0 | None | -2 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL428480 | 166819 | 0 | None | -2 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL11359 | 9780 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | |||||
44434821 | 90028 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238149 | 90028 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 441 | 10 | 4 | 2 | 4.5 | N=C(N)NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL427666 | 213364 | 0 | None | -22 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/jm0501432 | |||||
44434848 | 88968 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236443 | 88968 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
44347840 | 161924 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
91932630 | 161924 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
CHEMBL415333 | 161924 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1590 | 33 | 17 | 23 | -2.2 | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm030111j | |||
44347220 | 168440 | 0 | None | -251 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL434985 | 168440 | 0 | None | -251 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 861 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC(C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
44434766 | 154714 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL399810 | 154714 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 510 | 9 | 2 | 3 | 6.9 | N#Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44322795 | 206926 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL91041 | 206926 | 0 | None | -114 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 853 | 11 | 12 | 9 | -0.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44265715 | 10185 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159702 | 10185 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434856 | 154392 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 535 | 14 | 2 | 4 | 5.0 | NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL398777 | 154392 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 535 | 14 | 2 | 4 | 5.0 | NCCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44577091 | 178667 | 0 | None | -19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
CHEMBL467772 | 178667 | 0 | None | -19 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 10 | 2 | 5 | 4.0 | CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C | 10.1016/j.bmc.2008.03.072 | |||
44434778 | 89743 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237702 | 89743 | 0 | None | -10 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 544 | 9 | 1 | 3 | 7.8 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434651 | 89900 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 495 | 13 | 3 | 3 | 6.1 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237911 | 89900 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 495 | 13 | 3 | 3 | 6.1 | NCCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434698 | 171025 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 649 | 12 | 3 | 5 | 8.1 | COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL445669 | 171025 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 649 | 12 | 3 | 5 | 8.1 | COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44400863 | 69164 | 0 | None | -151 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL192464 | 69164 | 0 | None | -151 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 5.8 | CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44434855 | 90030 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238154 | 90030 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 7.5 | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44434785 | 148791 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 623 | 11 | 2 | 4 | 7.8 | COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394074 | 148791 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 623 | 11 | 2 | 4 | 7.8 | COc1cc(Br)c(CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
11295934 | 66975 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 3 | 2 | 7.1 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\Cc2cc(F)cc(F)c2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186792 | 66975 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 3 | 2 | 7.1 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\Cc2cc(F)cc(F)c2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
10325955 | 165271 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 582 | 8 | 2 | 6 | 3.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/jm0304109 | |||
CHEMBL423101 | 165271 | 0 | None | -6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 582 | 8 | 2 | 6 | 3.7 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1 | 10.1021/jm0304109 | |||
71452732 | 79034 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 8 | 2 | 6 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | |||
CHEMBL2113139 | 79034 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 697 | 8 | 2 | 6 | 4.2 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.07.035 | |||
44347330 | 168063 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
CHEMBL432407 | 168063 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 766 | 9 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm010165y | |||
70693083 | 76929 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
91929813 | 76929 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
CHEMBL2070253 | 76929 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1996 | 61 | 24 | 26 | -1.3 | CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O | 10.1021/jm201489a | |||
24740653 | 88592 | 0 | None | -190 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
CHEMBL235556 | 88592 | 0 | None | -190 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 540 | 11 | 1 | 4 | 5.3 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 | 10.1021/jm701137s | |||
2726 | 919 | 68 | None | -112 | 72 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 919 | 68 | None | -112 | 72 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 919 | 68 | None | -112 | 72 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 919 | 68 | None | -112 | 72 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 919 | 68 | None | -112 | 72 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL407213 | 212648 | 0 | None | -169 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O | 10.1021/jm010165y | |||||
11180881 | 66821 | 1 | None | -47 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 11 | 3 | 6 | 4.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL186074 | 66821 | 1 | None | -47 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 593 | 11 | 3 | 6 | 4.1 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)C1CCCNC1 | 10.1016/j.bmcl.2004.08.055 | |||
44434695 | 89426 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 9 | 2 | 2 | 7.1 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237070 | 89426 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 503 | 9 | 2 | 2 | 7.1 | NC1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434768 | 154715 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 553 | 9 | 2 | 2 | 8.3 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL399811 | 154715 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 553 | 9 | 2 | 2 | 8.3 | NC1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44400660 | 70730 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 4.8 | CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL195071 | 70730 | 0 | None | -301 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 558 | 10 | 2 | 5 | 4.8 | CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44396002 | 124774 | 0 | None | -17 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL364215 | 124774 | 0 | None | -17 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 11 | 2 | 6 | 4.8 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1cccnc1 | 10.1016/j.bmcl.2004.08.055 | |||
10158674 | 147915 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393359 | 147915 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265589 | 206320 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL8720 | 206320 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 499 | 12 | 7 | 4 | 2.3 | N=C(N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(02)00089-6 | |||
44265479 | 206089 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 268 | 2 | 2 | 2 | 1.9 | N=C(N)N1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8561 | 206089 | 0 | None | -1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 268 | 2 | 2 | 2 | 1.9 | N=C(N)N1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(02)00088-4 | |||
44434713 | 89596 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237502 | 89596 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 541 | 11 | 2 | 3 | 7.5 | COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
16172929 | 213001 | 15 | None | -87 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL412536 | 213001 | 15 | None | -87 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
44434754 | 90236 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238345 | 90236 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 11 | 3 | 4 | 7.2 | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
11365127 | 124088 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 7 | 2 | 3 | 6.6 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCC(N3CCCC3)CC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL363290 | 124088 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 7 | 2 | 3 | 6.6 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCC(N3CCCC3)CC2)cc1 | 10.1021/jm0400496 | |||
44434782 | 90027 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 10 | 2 | 2 | 7.5 | NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238144 | 90027 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 10 | 2 | 2 | 7.5 | NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 88597 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235582 | 88597 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434637 | 89412 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237052 | 89412 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL409636 | 212773 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm030119t | |||||
44456222 | 97925 | 0 | None | -676 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | |||
CHEMBL272538 | 97925 | 0 | None | -676 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 10 | 1 | 6 | 5.0 | Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmcl.2007.10.115 | |||
44434666 | 88559 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235356 | 88559 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434650 | 89899 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 389 | 11 | 2 | 2 | 4.8 | NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237910 | 89899 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 389 | 11 | 2 | 2 | 4.8 | NCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434648 | 148159 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393558 | 148159 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44393421 | 123103 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 3.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL361052 | 123103 | 0 | None | -5 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 3.6 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2CCCCC2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44434797 | 88602 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235590 | 88602 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 9 | 4 | 2 | 4.2 | N=C(N)NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434691 | 89425 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 2 | 4 | 7.0 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237069 | 89425 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 2 | 4 | 7.0 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
44434770 | 88561 | 0 | None | -46 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 521 | 9 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235359 | 88561 | 0 | None | -46 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 521 | 9 | 2 | 2 | 7.3 | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265473 | 206356 | 1 | None | -9 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 200 | 4 | 2 | 2 | 1.9 | NCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8743 | 206356 | 1 | None | -9 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 200 | 4 | 2 | 2 | 1.9 | NCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
44434690 | 89905 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237920 | 89905 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | N[C@H]1CC[C@H](C[C@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
24180646 | 148182 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
CHEMBL393576 | 148182 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | |||
24180646 | 148182 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | |||
CHEMBL393576 | 148182 | 0 | None | -1202 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | |||
44434633 | 89170 | 0 | None | -35 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 423 | 11 | 2 | 2 | 5.3 | NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236630 | 89170 | 0 | None | -35 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 423 | 11 | 2 | 2 | 5.3 | NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434699 | 89500 | 0 | None | -26 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 531 | 10 | 2 | 3 | 7.7 | CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237290 | 89500 | 0 | None | -26 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 531 | 10 | 2 | 3 | 7.7 | CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
24741624 | 138380 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1016/j.bmcl.2006.06.075 | |||
CHEMBL377231 | 138380 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1016/j.bmcl.2006.06.075 | |||
24741624 | 138380 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1021/jm701137s | |||
CHEMBL377231 | 138380 | 0 | None | -6 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.9 | COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 | 10.1021/jm701137s | |||
1338 | 3807 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | |||
9938402 | 3807 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | |||
CHEMBL339053 | 3807 | 43 | None | -154 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 8 | 2 | 6 | 4.6 | O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl | 10.1016/j.bmcl.2004.06.059 | |||
44265639 | 10179 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159697 | 10179 | 0 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44434884 | 88611 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235617 | 88611 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434690 | 89306 | 0 | None | -8 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236861 | 89306 | 0 | None | -8 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 10 | 2 | 2 | 8.1 | NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434655 | 90022 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 12 | 2 | 2 | 5.6 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238135 | 90022 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 417 | 12 | 2 | 2 | 5.6 | C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10260053 | 168203 | 0 | None | -6 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
CHEMBL433413 | 168203 | 0 | None | -6 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 871 | 27 | 12 | 10 | -1.1 | NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm020021z | |||
44432932 | 87754 | 0 | None | -263 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 14 | 2 | 6 | 6.6 | CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
CHEMBL233758 | 87754 | 0 | None | -263 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 14 | 2 | 6 | 6.6 | CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 | 10.1016/j.bmcl.2007.06.010 | |||
44434700 | 149509 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 637 | 12 | 3 | 4 | 9.0 | CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394645 | 149509 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 637 | 12 | 3 | 4 | 9.0 | CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434762 | 153010 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL397550 | 153010 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 579 | 11 | 2 | 4 | 7.7 | COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
10155513 | 151541 | 0 | None | -9 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 361 | 8 | 2 | 2 | 4.0 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396303 | 151541 | 0 | None | -9 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 361 | 8 | 2 | 2 | 4.0 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
176 | 398 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 398 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 398 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 398 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 398 | 66 | None | -5 | 31 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
1212 | 1662 | 50 | None | -416 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
204 | 1662 | 50 | None | -416 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
3372 | 1662 | 50 | None | -416 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
CHEMBL726 | 1662 | 50 | None | -416 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
DB00623 | 1662 | 50 | None | -416 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
1324 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
16154396 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
16197727 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
44285019 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
57514683 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
91898441 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
CHEMBL441738 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
DB04931 | 302 | 25 | None | -6 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201226w | |||||
11318528 | 66255 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 528 | 7 | 2 | 2 | 7.1 | CN(/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1)C1CCCCC1 | 10.1021/jm0400496 | |||
CHEMBL184612 | 66255 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 528 | 7 | 2 | 2 | 7.1 | CN(/C(=N/c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)NC1CCCCC1)C1CCCCC1 | 10.1021/jm0400496 | |||
44410803 | 140172 | 0 | None | -87 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL380365 | 140172 | 0 | None | -87 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 633 | 12 | 2 | 5 | 5.0 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44434880 | 88610 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235616 | 88610 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 10 | 2 | 2 | 6.4 | NCC1CCCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434709 | 89775 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 563 | 9 | 2 | 2 | 7.7 | NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237714 | 89775 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 563 | 9 | 2 | 2 | 7.7 | NC1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434854 | 90029 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238153 | 90029 | 0 | None | -1 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 573 | 10 | 2 | 2 | 8.6 | CC1CC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N | 10.1016/j.bmc.2007.06.003 | |||
44434787 | 148792 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 729 | 13 | 3 | 5 | 9.1 | COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394075 | 148792 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 729 | 13 | 3 | 5 | 9.1 | COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@H]2CC[C@@H](C[C@H]3CC[C@H](N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
44434605 | 149514 | 0 | None | -13 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL394647 | 149514 | 0 | None | -13 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | |||
10304463 | 76774 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 11 | 1 | 5 | 5.6 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL206840 | 76774 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 11 | 1 | 5 | 5.6 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44397198 | 66765 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
CHEMBL185862 | 66765 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 3.6 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 | 10.1016/j.bmcl.2005.05.017 | |||
10291370 | 145966 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 7 | 2 | 2 | 4.1 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391823 | 145966 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 7 | 2 | 2 | 4.1 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 88597 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235582 | 88597 | 0 | None | -6 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 513 | 9 | 2 | 2 | 6.7 | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44393450 | 123654 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 518 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL362010 | 123654 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 518 | 6 | 2 | 4 | 3.4 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
44562287 | 174248 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 3.9 | CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL454900 | 174248 | 0 | None | -102 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 10 | 2 | 5 | 3.9 | CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN(C)C)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
6918857 | 138709 | 1 | None | -33 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.4 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
CHEMBL377961 | 138709 | 1 | None | -33 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 619 | 11 | 2 | 5 | 4.4 | CCN(CC)CC(c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 | 10.1016/j.bmcl.2005.10.103 | |||
44434693 | 167347 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 559 | 12 | 2 | 4 | 7.4 | CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL429451 | 167347 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 559 | 12 | 2 | 4 | 7.4 | CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC | 10.1016/j.bmc.2007.06.003 | |||
44265719 | 207130 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9219 | 207130 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44434697 | 148693 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.8 | COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393994 | 148693 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 543 | 10 | 2 | 4 | 6.8 | COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434759 | 88516 | 0 | None | -23 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235139 | 88516 | 0 | None | -23 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 486 | 9 | 2 | 3 | 6.4 | NC1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
25058412 | 189440 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
CHEMBL513404 | 189440 | 0 | None | -120 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 10 | 3 | 5 | 3.8 | CC(C)CC(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 | 10.1016/j.bmcl.2008.07.076 | |||
44434851 | 89909 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 10 | 2 | 2 | 5.7 | NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237930 | 89909 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 10 | 2 | 2 | 5.7 | NCc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
44434761 | 89167 | 0 | None | -14 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 625 | 11 | 3 | 3 | 8.9 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236626 | 89167 | 0 | None | -14 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 625 | 11 | 3 | 3 | 8.9 | NC1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
10257541 | 126342 | 0 | None | -602 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
CHEMBL365039 | 126342 | 0 | None | -602 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 575 | 7 | 2 | 7 | 3.0 | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H]2CCCC[C@H]2n2cncn2)CC1)C1Cc2ccccc2CN1 | 10.1021/jm0311285 | |||
46877881 | 201818 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL606990 | 201818 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 813 | 9 | 10 | 8 | -0.3 | N=C(N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
11296732 | 143813 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
CHEMBL390130 | 143813 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2004.08.055 | |||
23661656 | 169044 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
CHEMBL439560 | 169044 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | |||
11296732 | 143813 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
CHEMBL390130 | 143813 | 0 | None | -22 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
1329 | 314 | 0 | None | -5011 | 3 | Mouse | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | None | None | None | None | 9454589 | |||||
1320 | 366 | 0 | None | -19 | 3 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
16162729 | 366 | 0 | None | -19 | 3 | Human | 6.9 | pKd | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
1328 | 1943 | 0 | None | -10 | 4 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9832440 | |||||
1325 | 3600 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
6440621 | 3600 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
9898183 | 3600 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
CHEMBL3422426 | 3600 | 14 | None | -15 | 7 | Human | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
None | 216309 | 0 | 125I-NDP-MSH | -8511 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
None | 216309 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -8511 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
None | 216310 | 0 | 125I-NDP-MSH | -93 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 961 | 29 | 13 | 12 | -1.5 | CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)O)N | None | |||
None | 216310 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -93 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 961 | 29 | 13 | 12 | -1.5 | CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)O)N | None | |||
3198 | 205513 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL1201049 | 205513 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL808 | 205513 | 76 | None | -81 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
1016 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
2561 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
2733526 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
5384 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
CHEMBL83 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
DB00675 | 3747 | 78 | None | -66 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
4189 | 206922 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
CHEMBL1559 | 206922 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
CHEMBL91 | 206922 | 96 | None | -61 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
138106885 | 166911 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | |||
36314 | 166911 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | |||
CHEMBL428647 | 166911 | 75 | None | -3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 853 | 10 | 4 | 14 | 3.7 | CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C | None | |||
176 | 398 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
2157 | 398 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
2566 | 398 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
CHEMBL633 | 398 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
DB01118 | 398 | 66 | None | -5 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
1212 | 1662 | 50 | None | -416 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
204 | 1662 | 50 | None | -416 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
3372 | 1662 | 50 | None | -416 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
CHEMBL726 | 1662 | 50 | None | -416 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
DB00623 | 1662 | 50 | None | -416 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
2726 | 919 | 68 | None | -112 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
621 | 919 | 68 | None | -112 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
83 | 919 | 68 | None | -112 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL71 | 919 | 68 | None | -112 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB00477 | 919 | 68 | None | -112 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
68617 | 205527 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
CHEMBL1709 | 205527 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
CHEMBL809 | 205527 | 62 | None | -21 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
2247 | 505 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
249 | 505 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
2603 | 505 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
CHEMBL296419 | 505 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
DB00637 | 505 | 81 | None | -63 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
11993702 | 3593 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
5416 | 3593 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
9272 | 3593 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
CHEMBL3301624 | 3593 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
DB11700 | 3593 | 18 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
10408 | 720 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | |||||
5329 | 720 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | |||||
9941379 | 720 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | |||||
CHEMBL2070241 | 720 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | |||||
DB11653 | 720 | 28 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | None | |||||
10408 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | |||||
5329 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | |||||
9941379 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | |||||
CHEMBL2070241 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | |||||
DB11653 | 720 | 28 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C | 22335602 | |||||
11993702 | 3593 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
5416 | 3593 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
9272 | 3593 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
CHEMBL3301624 | 3593 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
DB11700 | 3593 | 18 | None | -19 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
134611880 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
16132265 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
3633 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
4931 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
CHEMBL1201610 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
DB01285 | 277 | 0 | None | -2187 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 |