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 |
1323 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL413212 | 219834 | 0 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | 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(Cl)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
1324 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16154396 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16197727 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
44285019 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
57514683 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
91898441 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL441738 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
DB04931 | 7090 | 25 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
168284256 | 197725 | 0 | None | -2 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 197725 | 0 | None | -2 | 4 | Human | 10.0 | pEC50 | = | 10.0 | 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 | ||
168281421 | 197736 | 0 | None | 10 | 3 | Human | 10.0 | pEC50 | = | 10.0 | 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 | 197736 | 0 | None | 10 | 3 | Human | 10.0 | pEC50 | = | 10.0 | 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 | ||
CHEMBL429236 | 220295 | 0 | None | -5 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | 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 | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
127036484 | 143223 | 0 | None | -3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | 143223 | 0 | None | -3 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | ||
11993702 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
11993702 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
5416 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
9272 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3301624 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
DB11700 | 10365 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
168271934 | 196864 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | 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 | 196864 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | 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 | ||
1323 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
92432 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL430239 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44310104 | 88363 | 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 | 88363 | 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 | ||
CHEMBL386081 | 219154 | 0 | None | -8 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | 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 | ||||
1323 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
92432 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL430239 | 9465 | 55 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1323 | 9465 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
92432 | 9465 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL430239 | 9465 | 55 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
127036484 | 143223 | 0 | None | -3 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 143223 | 0 | None | -3 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
168289404 | 198091 | 0 | None | -4 | 4 | Human | 9.7 | pEC50 | = | 9.7 | 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 | 198091 | 0 | None | -4 | 4 | Human | 9.7 | pEC50 | = | 9.7 | 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 | ||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL428615 | 220239 | 0 | None | -10 | 5 | Human | 9.7 | pEC50 | = | 9.7 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
118722938 | 123017 | 0 | None | -2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 123017 | 0 | None | -2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
118722941 | 123020 | 0 | None | -4 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 123020 | 0 | None | -4 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
118722937 | 123016 | 0 | None | -5 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | 123016 | 0 | None | -5 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||
CHEMBL2371851 | 216918 | 0 | None | -5 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | 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 | ||||
122194229 | 130761 | 0 | None | -8 | 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.2015.09.046 | ||
CHEMBL3629347 | 130761 | 0 | None | -8 | 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.2015.09.046 | ||
16132144 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | ||||
168284733 | 198403 | 0 | None | 1 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | 198403 | 0 | None | 1 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | ||
122194229 | 130761 | 0 | None | -8 | 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.2015.10.095 | ||
CHEMBL3629347 | 130761 | 0 | None | -8 | 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.2015.10.095 | ||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL405087 | 219320 | 0 | None | -2 | 5 | Rat | 9.6 | pEC50 | = | 9.6 | 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 | ||||
CHEMBL414965 | 219945 | 0 | None | -4 | 5 | Rat | 9.6 | pEC50 | = | 9.6 | 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 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL267794 | 217512 | 0 | None | -7 | 4 | Mouse | 9.6 | pEC50 | = | 9.6 | 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 | ||||
168272660 | 197212 | 0 | None | -2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | 197212 | 0 | None | -2 | 4 | Human | 9.6 | pEC50 | = | 9.6 | 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 | ||
118722936 | 123015 | 0 | None | -2 | 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 | 123015 | 0 | None | -2 | 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 | ||
118722944 | 123023 | 0 | None | -4 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | 123023 | 0 | None | -4 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||
CHEMBL410763 | 219617 | 0 | None | -7 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | 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 | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
168270124 | 196734 | 0 | None | -2 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 196734 | 0 | None | -2 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
168276507 | 197044 | 0 | None | -3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 197044 | 0 | None | -3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16157270 | 219332 | 14 | None | 22 | 7 | Human | 9.5 | pEC50 | = | 9.5 | 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/jm049579s | ||||
CHEMBL405282 | 219332 | 14 | None | 22 | 7 | Human | 9.5 | pEC50 | = | 9.5 | 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/jm049579s | ||||
16157270 | 219332 | 14 | None | 22 | 7 | Human | 9.5 | pEC50 | = | 9.5 | 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/jm000211e | ||||
CHEMBL405282 | 219332 | 14 | None | 22 | 7 | Human | 9.5 | pEC50 | = | 9.5 | 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/jm000211e | ||||
168293710 | 198945 | 0 | None | -3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 198945 | 0 | None | -3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
168289457 | 198159 | 0 | None | -1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 198159 | 0 | None | -1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL413912 | 219879 | 0 | None | -5 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[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 | 10.1016/j.bmcl.2004.07.046 | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL264536 | 217406 | 5 | None | -8 | 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(=O)NCC(N)=O | 10.1021/jm010061n | ||||
168281389 | 197701 | 0 | None | -1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | 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 | 197701 | 0 | None | -1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | 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 | ||
44415913 | 86726 | 0 | None | -5 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL212614 | 86726 | 0 | None | -5 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
16132144 | 216058 | 36 | None | -2 | 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/acsmedchemlett.5b00053 | ||||
16133793 | 216058 | 36 | None | -2 | 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/acsmedchemlett.5b00053 | ||||
44273719 | 216058 | 36 | None | -2 | 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/acsmedchemlett.5b00053 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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/acsmedchemlett.5b00053 | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
118722933 | 123013 | 0 | None | -8 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | 123013 | 0 | None | -8 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | 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 | ||
44416057 | 87966 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215833 | 87966 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
16132144 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | ||||
16132144 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0492756 | ||||
16133793 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0492756 | ||||
44273719 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0492756 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0492756 | ||||
16132144 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0490843 | ||||
16133793 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0490843 | ||||
44273719 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0490843 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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 | 10.1021/jm0490843 | ||||
101670969 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 175675 | 23 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | ||
118722942 | 123021 | 0 | None | -4 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 123021 | 0 | None | -4 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
168295726 | 199184 | 0 | None | -6 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 199184 | 0 | None | -6 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||
118722943 | 123022 | 0 | None | -4 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 123022 | 0 | None | -4 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | ||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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/jm00018a005 | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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/jm00018a005 | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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/jm00018a005 | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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/jm00018a005 | ||||
10408 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||||
10408 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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.1c00095 | ||||
5329 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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.1c00095 | ||||
9941379 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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.1c00095 | ||||
CHEMBL2070241 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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.1c00095 | ||||
DB11653 | 7507 | 28 | None | -5 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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.1c00095 | ||||
CHEMBL408257 | 219483 | 0 | None | -2 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | ||||
168283616 | 198018 | 0 | None | -1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 198018 | 0 | None | -1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||
42630327 | 162650 | 0 | None | -2 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | 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 | 162650 | 0 | None | -2 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | 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 | ||
16132144 | 216058 | 36 | None | -2 | 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/jm010061n | ||||
16133793 | 216058 | 36 | None | -2 | 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/jm010061n | ||||
44273719 | 216058 | 36 | None | -2 | 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/jm010061n | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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/jm010061n | ||||
16132144 | 216058 | 36 | None | -2 | 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/acs.jmedchem.5b01894 | ||||
16133793 | 216058 | 36 | None | -2 | 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/acs.jmedchem.5b01894 | ||||
44273719 | 216058 | 36 | None | -2 | 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/acs.jmedchem.5b01894 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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/acs.jmedchem.5b01894 | ||||
16132144 | 216058 | 36 | None | -2 | 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/jm010524p | ||||
16133793 | 216058 | 36 | None | -2 | 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/jm010524p | ||||
44273719 | 216058 | 36 | None | -2 | 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/jm010524p | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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/jm010524p | ||||
16132144 | 216058 | 36 | None | -2 | 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/jm0303608 | ||||
16133793 | 216058 | 36 | None | -2 | 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/jm0303608 | ||||
44273719 | 216058 | 36 | None | -2 | 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/jm0303608 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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/jm0303608 | ||||
16132144 | 216058 | 36 | None | -2 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
16133793 | 216058 | 36 | None | -2 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
44273719 | 216058 | 36 | None | -2 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 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 | 10.1016/j.bmcl.2003.08.078 | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
118722930 | 123011 | 0 | None | -10 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 123011 | 0 | None | -10 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||
118722926 | 123008 | 0 | None | -7 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | 123008 | 0 | None | -7 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | 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 | ||
168271237 | 197267 | 0 | None | -3 | 4 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 197267 | 0 | None | -3 | 4 | Human | 9.0 | pEC50 | = | 9.0 | 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 | ||
CHEMBL2369484 | 216406 | 0 | None | -4 | 4 | Mouse | 9.0 | pEC50 | = | 9 | 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 | ||||
44415914 | 146048 | 0 | None | -5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL379054 | 146048 | 0 | None | -5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
145966364 | 170899 | 0 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4209913 | 170899 | 0 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL2372859 | 217079 | 1 | None | -5 | 3 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=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)N[C@@H](CCCCN)C(N)=O | 10.1021/jm501027w | ||||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.02.068 | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.02.068 | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.02.068 | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.02.068 | ||||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2004.10.020 | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2004.10.020 | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2004.10.020 | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2004.10.020 | ||||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.05.109 | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.05.109 | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1016/j.bmcl.2005.05.109 | ||||
CHEMBL428801 | 220251 | 0 | None | -26 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | ||||
CHEMBL5090946 | 222064 | 0 | None | -12 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | ||||
CHEMBL263822 | 217369 | 0 | None | 5 | 4 | Human | 8.9 | pEC50 | = | 8.9 | 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](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL5087859 | 221902 | 0 | None | 4 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | 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 | ||||
11845450 | 145247 | 0 | None | -28 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377465 | 145247 | 0 | None | -28 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
118722931 | 123012 | 0 | None | -10 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | 123012 | 0 | None | -10 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | 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 | ||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 8.9 | pEC50 | = | 8.9 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.9 | pEC50 | = | 8.9 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.9 | pEC50 | = | 8.9 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.9 | pEC50 | = | 8.9 | 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 | ||||
CHEMBL5083551 | 221648 | 0 | None | -25 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | ||||
CHEMBL3600920 | 218602 | 0 | None | 2 | 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)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 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
118722927 | 123009 | 0 | None | -8 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | 123009 | 0 | None | -8 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | 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 | ||
CHEMBL439691 | 220627 | 0 | None | 5 | 3 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 220523 | 0 | None | 21 | 3 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
CHEMBL267900 | 217516 | 0 | None | -5 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | ||||
CHEMBL1688107 | 215613 | 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 | ||||
145971389 | 171412 | 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 | 171412 | 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 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL393075 | 219241 | 0 | None | -6 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
145973975 | 171436 | 0 | None | 11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 171436 | 0 | None | 11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL3752534 | 218995 | 1 | None | 25 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | ||||
118722940 | 123019 | 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 | 123019 | 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 | 218347 | 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 | ||||
44416106 | 148224 | 0 | None | -19 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL384176 | 148224 | 0 | None | -19 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44413830 | 84725 | 0 | None | -2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL209622 | 84725 | 0 | None | -2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
155549760 | 180656 | 0 | None | -25 | 4 | Mouse | 8.0 | pEC50 | = | 8 | 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 | 180656 | 0 | None | -25 | 4 | Mouse | 8.0 | pEC50 | = | 8 | 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 | ||
127047475 | 146527 | 0 | None | -60 | 5 | Mouse | 8.0 | pEC50 | = | 8 | 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 | 146527 | 0 | None | -60 | 5 | Mouse | 8.0 | pEC50 | = | 8 | 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 | 146527 | 0 | None | -60 | 5 | Mouse | 8.0 | pEC50 | = | 8 | 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 | ||
16132144 | 216058 | 36 | None | -2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
16133793 | 216058 | 36 | None | -2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
44273719 | 216058 | 36 | None | -2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL214332 | 216058 | 36 | None | -2 | 8 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 10.1016/j.bmcl.2009.07.025 | ||||
24774358 | 161683 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | 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 | 161683 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | 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 | ||
155565321 | 182355 | 0 | None | -3 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | 182355 | 0 | None | -3 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||
155567399 | 182745 | 0 | None | -21 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | 182745 | 0 | None | -21 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||
CHEMBL320157 | 218005 | 0 | None | -1 | 4 | Mouse | 7.0 | pEC50 | = | 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 | ||||
137638725 | 163758 | 0 | None | -38 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | 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)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]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 | ||
CHEMBL4073016 | 163758 | 0 | None | -38 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | 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)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]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 | ||
137660671 | 165997 | 0 | None | -1071 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | 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 | 165997 | 0 | None | -1071 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | 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 | ||
CHEMBL411359 | 219658 | 0 | None | -4 | 4 | Human | 6.0 | pEC50 | = | 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](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 | ||||
155566074 | 182513 | 0 | None | -33 | 3 | Mouse | 5.0 | pEC50 | = | 5 | 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 | 182513 | 0 | None | -33 | 3 | Mouse | 5.0 | pEC50 | = | 5 | 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 | ||
44305763 | 209865 | 0 | None | -5 | 4 | Mouse | 4.0 | pEC50 | = | 4 | 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 | 209865 | 0 | None | -5 | 4 | Mouse | 4.0 | pEC50 | = | 4 | 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 | ||
44305704 | 210116 | 0 | None | -4 | 4 | Mouse | 4.0 | pEC50 | = | 4 | 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 | 210116 | 0 | None | -4 | 4 | Mouse | 4.0 | pEC50 | = | 4 | 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 | ||
44441645 | 100902 | 0 | None | -93 | 3 | Human | 6.0 | pEC50 | = | 6 | 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 | 100902 | 0 | None | -93 | 3 | Human | 6.0 | pEC50 | = | 6 | 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 | ||
44394660 | 73828 | 0 | None | -70 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 772 | 20 | 9 | 7 | 0.2 | NC(=O)CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL187167 | 73828 | 0 | None | -70 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 772 | 20 | 9 | 7 | 0.2 | NC(=O)CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44394654 | 130751 | 0 | None | -26 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 775 | 20 | 8 | 7 | 1.7 | CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL362879 | 130751 | 0 | None | -26 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 775 | 20 | 8 | 7 | 1.7 | CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
11787684 | 77049 | 0 | None | -36 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 77049 | 0 | None | -36 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
25132866 | 179390 | 0 | None | -20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | ||
CHEMBL449131 | 179390 | 0 | None | -20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | ||
CHEMBL2323791 | 216296 | 0 | None | -9 | 4 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||||
155556047 | 181276 | 0 | None | -3 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 181276 | 0 | None | -3 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
CHEMBL4299612 | 220373 | 0 | None | -3 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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(=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 | ||||
46885761 | 14800 | 0 | None | -173 | 4 | Human | 5.0 | pEC50 | = | 5.0 | 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 | 14800 | 0 | None | -173 | 4 | Human | 5.0 | pEC50 | = | 5.0 | 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 | ||
71457994 | 85354 | 0 | None | -26 | 4 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | 85354 | 0 | None | -26 | 4 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||
25133556 | 195628 | 0 | None | -83 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | ||
CHEMBL506762 | 195628 | 0 | None | -83 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | ||
122184635 | 129212 | 0 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 129212 | 0 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
162673830 | 189938 | 0 | None | -47 | 3 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 189938 | 0 | None | -47 | 3 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | ||
CHEMBL2371712 | 216888 | 0 | None | -2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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](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 | ||||
CHEMBL3349030 | 218184 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||||
CHEMBL5091236 | 222078 | 0 | None | -102 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | 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 | ||||
90643803 | 118520 | 0 | None | -26 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 118520 | 0 | None | -26 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
155556954 | 181327 | 0 | None | -363 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 181327 | 0 | None | -363 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
162662213 | 188275 | 0 | None | -2 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 188275 | 0 | None | -2 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
162661724 | 188314 | 0 | None | -3 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 188314 | 0 | None | -3 | 3 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
25128751 | 180363 | 0 | None | -29 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | ||
CHEMBL453300 | 180363 | 0 | None | -29 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | ||
137642664 | 164859 | 0 | None | -12 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 164859 | 0 | None | -12 | 3 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
155551195 | 180721 | 0 | None | -52 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 180721 | 0 | None | -52 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
71459938 | 85756 | 0 | None | -19 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | 85756 | 0 | None | -19 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | ||
25128749 | 185249 | 0 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | ||
CHEMBL466380 | 185249 | 0 | None | -37 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | ||
CHEMBL3601426 | 218605 | 0 | None | -24 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
11847001 | 87003 | 0 | None | -125 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL213747 | 87003 | 0 | None | -125 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44441641 | 101076 | 0 | None | -69 | 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 | 10.1016/j.bmcl.2006.11.084 | ||
CHEMBL250508 | 101076 | 0 | None | -69 | 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 | 10.1016/j.bmcl.2006.11.084 | ||
145989222 | 174059 | 0 | None | -6 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 174059 | 0 | None | -6 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
11328898 | 14732 | 22 | None | -95 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 14732 | 22 | None | -95 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 14732 | 22 | None | -95 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
46885972 | 14891 | 0 | None | -165 | 4 | Human | 4.9 | pEC50 | = | 4.9 | 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 | 14891 | 0 | None | -165 | 4 | Human | 4.9 | pEC50 | = | 4.9 | 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 | ||
11845630 | 146292 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL379490 | 146292 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL589515 | 222579 | 0 | None | -169 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||||
25129453 | 178545 | 0 | None | -15 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | ||
CHEMBL446757 | 178545 | 0 | None | -15 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | ||
145966490 | 171141 | 0 | None | -1 | 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 | 171141 | 0 | None | -1 | 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 | ||
CHEMBL3349030 | 218184 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||||
CHEMBL2370967 | 216749 | 0 | None | 3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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)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](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 | ||||
145980719 | 173275 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 173275 | 0 | None | -2 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
44322957 | 212990 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL86573 | 212990 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44408189 | 175658 | 0 | None | -107 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 175658 | 0 | None | -107 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
16132144 | 216058 | 36 | None | -2 | 8 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 216058 | 36 | None | -2 | 8 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 216058 | 36 | None | -2 | 8 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 216058 | 36 | None | -2 | 8 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||||
44413881 | 144371 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL375559 | 144371 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
137635422 | 162689 | 0 | None | -30 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 162689 | 0 | None | -30 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
CHEMBL510687 | 222366 | 0 | None | -141 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||||
CHEMBL105113 | 215245 | 0 | None | -30 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||||
15603023 | 104740 | 0 | None | -630 | 5 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 104740 | 0 | None | -630 | 5 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL5093939 | 222237 | 0 | None | -169 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | ||||
CHEMBL2310901 | 216277 | 0 | None | 1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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)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 | ||||
44322958 | 113789 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL315356 | 113789 | 0 | None | -2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL3600843 | 218599 | 0 | None | 1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||||
CHEMBL5076315 | 221207 | 0 | None | -8 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | 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 | ||||
CHEMBL501592 | 220920 | 0 | None | -37 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
44322986 | 112874 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL313377 | 112874 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | ||
155567887 | 182827 | 0 | None | -4 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 182827 | 0 | None | -4 | 4 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
137640475 | 163866 | 0 | None | -29 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | 163866 | 0 | None | -29 | 3 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
1338 | 10579 | 43 | None | -1202 | 8 | Rat | 5.9 | pEC50 | = | 5.9 | 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 | 10579 | 43 | None | -1202 | 8 | Rat | 5.9 | pEC50 | = | 5.9 | 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 | 10579 | 43 | None | -1202 | 8 | Rat | 5.9 | pEC50 | = | 5.9 | 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 | ||
11308957 | 76168 | 0 | None | -64 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 76168 | 0 | None | -64 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
44394093 | 134017 | 0 | None | -8 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 881 | 19 | 9 | 6 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365825 | 134017 | 0 | None | -8 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 881 | 19 | 9 | 6 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL217584 | 216156 | 0 | None | -74 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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](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 | ||||
CHEMBL3350327 | 218249 | 0 | None | -1 | 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 | ||||
11846673 | 86769 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL212766 | 86769 | 0 | None | -5 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
11491374 | 74394 | 0 | None | -147 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | 74394 | 0 | None | -147 | 4 | Mouse | 6.9 | pEC50 | = | 6.9 | 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 | ||
CHEMBL500743 | 220903 | 0 | None | -1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
162649653 | 186879 | 0 | None | -23 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 186879 | 0 | None | -23 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
162661397 | 188305 | 0 | None | -2 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 188305 | 0 | None | -2 | 4 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
162672755 | 189869 | 0 | None | -35 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 189869 | 0 | None | -35 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | ||
44394786 | 130858 | 0 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 883 | 22 | 9 | 7 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363271 | 130858 | 0 | None | -3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 883 | 22 | 9 | 7 | 3.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL2096759 | 215987 | 0 | None | -21 | 4 | 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)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 | ||||
122184914 | 129337 | 0 | None | -69 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | 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 | 129337 | 0 | None | -69 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | 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 | ||
44422999 | 175634 | 0 | None | -446 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 175634 | 0 | None | -446 | 4 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
155538472 | 180030 | 0 | None | -10 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | 180030 | 0 | None | -10 | 3 | Mouse | 5.9 | pEC50 | = | 5.9 | 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 | ||
1338 | 10579 | 43 | None | -616 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 10579 | 43 | None | -616 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 10579 | 43 | None | -616 | 8 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
137634090 | 163078 | 0 | None | -10 | 6 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | 163078 | 0 | None | -10 | 6 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
137635701 | 162816 | 0 | None | -1 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | 162816 | 0 | None | -1 | 4 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | ||
162669632 | 189344 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4787753 | 189344 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
44416152 | 87873 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215576 | 87873 | 0 | None | -15 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44394657 | 134242 | 0 | None | -12 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 745 | 19 | 10 | 7 | 0.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL366040 | 134242 | 0 | None | -12 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 745 | 19 | 10 | 7 | 0.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44394583 | 129123 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 771 | 18 | 8 | 6 | 2.4 | CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359927 | 129123 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 771 | 18 | 8 | 6 | 2.4 | CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44456964 | 163469 | 0 | None | -81 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 163469 | 0 | None | -81 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
25129105 | 183798 | 0 | None | -12 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | ||
CHEMBL463047 | 183798 | 0 | None | -12 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | ||
44413968 | 87004 | 0 | None | -77 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL213751 | 87004 | 0 | None | -77 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
137658158 | 166496 | 0 | None | -26 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | 166496 | 0 | None | -26 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | ||
9849434 | 183709 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 516 | 9 | 2 | 4 | 2.8 | C=CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL462044 | 183709 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 516 | 9 | 2 | 4 | 2.8 | C=CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL184968 | 215831 | 0 | None | -11 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCC(=O)OC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
25133907 | 183503 | 0 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL460138 | 183503 | 0 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
44413914 | 146296 | 0 | None | -50 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL379508 | 146296 | 0 | None | -50 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
155555217 | 181116 | 0 | None | -9 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | 181116 | 0 | None | -9 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||
CHEMBL307457 | 217760 | 0 | None | -36 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||||
CHEMBL5087814 | 221898 | 0 | None | -12 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | ||||
44577516 | 179653 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 908 | 12 | 12 | 12 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)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 | ||
CHEMBL451535 | 179653 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 908 | 12 | 12 | 12 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)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 | ||
162664463 | 188969 | 0 | None | -4 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 188969 | 0 | None | -4 | 3 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
11273288 | 19732 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 19732 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 19732 | 0 | None | -61 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
CHEMBL2370965 | 216747 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||||
137657151 | 166335 | 0 | None | -3 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 166335 | 0 | None | -3 | 3 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
CHEMBL50056 | 220898 | 2 | None | -138 | 7 | Mouse | 5.8 | pEC50 | = | 5.8 | 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(N)=O | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL3349030 | 218184 | 0 | None | 1 | 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 | ||||
CHEMBL320157 | 218005 | 0 | None | -1 | 4 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||||
162672691 | 189980 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4795842 | 189980 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
11423083 | 103614 | 0 | None | -154 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 103614 | 0 | None | -154 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
162672691 | 189980 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4795842 | 189980 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
44448590 | 102374 | 0 | None | -93 | 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 | 102374 | 0 | None | -93 | 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 | ||
CHEMBL3600842 | 218598 | 0 | None | -2 | 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)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 | ||||
132180598 | 164628 | 0 | None | -181 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | 164628 | 0 | None | -181 | 4 | Mouse | 7.8 | pEC50 | = | 7.8 | 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 | ||
CHEMBL5077144 | 221264 | 0 | None | -38 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | 216058 | 36 | None | -7 | 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 | 10.1021/acs.jmedchem.7b00353 | ||||
16133793 | 216058 | 36 | None | -7 | 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 | 10.1021/acs.jmedchem.7b00353 | ||||
44273719 | 216058 | 36 | None | -7 | 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 | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 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 | 10.1021/acs.jmedchem.7b00353 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
137637026 | 162704 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 162704 | 0 | None | -28 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
1338 | 10579 | 43 | None | -616 | 8 | Human | 6.8 | pEC50 | = | 6.8 | 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.2007.11.109 | ||
9938402 | 10579 | 43 | None | -616 | 8 | Human | 6.8 | pEC50 | = | 6.8 | 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.2007.11.109 | ||
CHEMBL339053 | 10579 | 43 | None | -616 | 8 | Human | 6.8 | pEC50 | = | 6.8 | 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.2007.11.109 | ||
137639815 | 163581 | 0 | None | -7 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 163581 | 0 | None | -7 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
44322923 | 213325 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL88630 | 213325 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
10325955 | 172050 | 0 | None | -112 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | 172050 | 0 | None | -112 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | ||
155562846 | 181949 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 181949 | 0 | None | -14 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
CHEMBL184326 | 215828 | 0 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | COP(=S)(N[C@@H](Cc1ccc(Cl)cc1)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)OC | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL3350396 | 218258 | 0 | None | -281 | 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](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 | ||||
137662147 | 166158 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 166158 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
122184575 | 129205 | 0 | None | 1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 129205 | 0 | None | 1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
168272615 | 197166 | 0 | None | -31 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5177494 | 197166 | 0 | None | -31 | 4 | Human | 6.8 | pEC50 | = | 6.8 | 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)CSCc2ccc(cc2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
44416060 | 88093 | 0 | None | -102 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL215895 | 88093 | 0 | None | -102 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44394658 | 175116 | 0 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 758 | 18 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL434329 | 175116 | 0 | None | -5 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 758 | 18 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL500516 | 220896 | 0 | None | -74 | 4 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||||
CHEMBL364359 | 218701 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL195468 | 215881 | 0 | None | -53 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
45487297 | 203880 | 0 | None | -33 | 4 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 203880 | 0 | None | -33 | 4 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
162665450 | 189075 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4784053 | 189075 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
44323031 | 174857 | 0 | None | -33 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL432565 | 174857 | 0 | None | -33 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL5075712 | 221173 | 0 | None | -125 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | ||||
44394694 | 73086 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 819 | 21 | 9 | 6 | 3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL184895 | 73086 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 819 | 21 | 9 | 6 | 3.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL183733 | 215826 | 0 | None | -13 | 3 | Human | 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[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.2004.07.046 | ||||
CHEMBL50056 | 220898 | 2 | None | -15 | 7 | Human | 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[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL203602 | 215939 | 0 | None | -1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | 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](CCC(N)=O)NC1=O | 10.1021/jm0510326 | ||||
CHEMBL2370968 | 216750 | 0 | None | -63 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | ||||
11753695 | 15165 | 7 | None | -851 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | 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.2010.06.062 | ||
CHEMBL1093304 | 15165 | 7 | None | -851 | 8 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | 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.2010.06.062 | ||
44305770 | 209573 | 0 | None | 1 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | 209573 | 0 | None | 1 | 4 | Mouse | 5.8 | pEC50 | = | 5.8 | 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 | ||
CHEMBL2370968 | 216750 | 0 | None | -63 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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/jm030119t | ||||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
162665450 | 189075 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4784053 | 189075 | 0 | None | -4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL302703 | 217693 | 0 | None | -5 | 5 | Mouse | 5.8 | pEC50 | = | 5.8 | 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(N)=O | 10.1021/jm010061n | ||||
CHEMBL361252 | 218613 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CN(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
11847312 | 86537 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL211798 | 86537 | 0 | None | -6 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
122184638 | 129215 | 0 | None | 2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600919 | 129215 | 0 | None | 2 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL5092761 | 222167 | 0 | None | -281 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||||
CHEMBL2323786 | 216291 | 0 | None | -12 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||||
10077258 | 21803 | 0 | None | -158 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | 21803 | 0 | None | -158 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | ||
11226756 | 126752 | 0 | None | -251 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | 126752 | 0 | None | -251 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | 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 | ||
155538874 | 179569 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | 179569 | 0 | None | -10 | 3 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | ||
122184636 | 129213 | 0 | None | -3 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600917 | 129213 | 0 | None | -3 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL2323799 | 216304 | 0 | None | -120 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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](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 | ||||
145976444 | 170742 | 0 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | 170742 | 0 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
CHEMBL3287327 | 218089 | 0 | None | -7 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
CHEMBL438235 | 220538 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | 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]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 | ||||
137638778 | 163537 | 0 | None | -11 | 3 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 163537 | 0 | None | -11 | 3 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
CHEMBL5090670 | 222056 | 0 | None | -18 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||||
CHEMBL2323793 | 216298 | 0 | None | -25 | 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 | ||||
168277258 | 197489 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 197489 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
CHEMBL2323790 | 216295 | 0 | None | -60 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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](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 | ||||
155555947 | 181291 | 0 | None | -147 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 181291 | 0 | None | -147 | 3 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
168274920 | 197042 | 0 | None | -66 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL5175444 | 197042 | 0 | None | -66 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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)CSCc2cccc(c2)CSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.2c00793 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||||
CHEMBL3601431 | 218606 | 0 | None | -2 | 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](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 | ||||
45487298 | 204121 | 0 | None | -25 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 204121 | 0 | None | -25 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
44415919 | 148366 | 0 | None | 4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL385000 | 148366 | 0 | None | 4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL503229 | 220942 | 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 | ||||
44577510 | 195514 | 0 | None | -3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 195514 | 0 | None | -3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
CHEMBL1688107 | 215613 | 0 | None | -8 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||||
CHEMBL443071 | 220699 | 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 | ||||
CHEMBL3349030 | 218184 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||||
16132144 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | 216058 | 36 | None | -2 | 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 | ||||
CHEMBL5087839 | 221899 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | ||||
CHEMBL3358533 | 218346 | 0 | None | -4 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | 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 | ||||
118722932 | 122296 | 0 | None | -10 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | 122296 | 0 | None | -10 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | ||
10408 | 7507 | 28 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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.8b00170 | ||||
5329 | 7507 | 28 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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.8b00170 | ||||
9941379 | 7507 | 28 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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.8b00170 | ||||
CHEMBL2070241 | 7507 | 28 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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.8b00170 | ||||
DB11653 | 7507 | 28 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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.8b00170 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL3358542 | 218348 | 0 | None | -7 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)NCCCC[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](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(N)=O | 10.1021/jm501027w | ||||
168278271 | 197894 | 0 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 197894 | 0 | None | -5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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 | ||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.6 | pEC50 | = | 8.6 | 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 | 216058 | 36 | None | -7 | 8 | Human | 8.6 | pEC50 | = | 8.6 | 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 | ||||
44348200 | 166975 | 0 | None | 2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | 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 | 166975 | 0 | None | 2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | 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 | ||
CHEMBL266417 | 217462 | 0 | None | -83 | 6 | Human | 8.6 | pEC50 | = | 8.6 | 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/jm00018a005 | ||||
CHEMBL4299619 | 220374 | 0 | None | -66 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
137660993 | 166226 | 0 | None | -13 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | 166226 | 0 | None | -13 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
CHEMBL2323785 | 216290 | 0 | None | -32 | 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](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 | ||||
118735102 | 125580 | 0 | None | -53 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | 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 | 125580 | 0 | None | -53 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | 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 | ||
10257242 | 21802 | 0 | None | -112 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 21802 | 0 | None | -112 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | ||
155548791 | 180509 | 0 | None | -25 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | 180509 | 0 | None | -25 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||
164627491 | 193282 | 0 | None | 3 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | 193282 | 0 | None | 3 | 3 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||
9960253 | 123727 | 0 | None | -25 | 2 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 10.1021/jm0304109 | ||
CHEMBL338594 | 123727 | 0 | None | -25 | 2 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 10.1021/jm0304109 | ||
44409240 | 81209 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL202699 | 81209 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
44415972 | 86658 | 0 | None | -141 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL212332 | 86658 | 0 | None | -141 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | ||
44415956 | 148734 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL387246 | 148734 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | ||
44409240 | 81209 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | ||
CHEMBL202699 | 81209 | 0 | None | -457 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | ||
44413832 | 84840 | 0 | None | -38 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL210009 | 84840 | 0 | None | -38 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
11845444 | 86842 | 0 | None | -11 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL213026 | 86842 | 0 | None | -11 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44413969 | 87005 | 0 | None | -44 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL213752 | 87005 | 0 | None | -44 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
44413970 | 145793 | 0 | None | -50 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378571 | 145793 | 0 | None | -50 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44415956 | 148734 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL387246 | 148734 | 0 | None | -24 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
44394785 | 130818 | 0 | None | -4 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 865 | 22 | 9 | 7 | 3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363061 | 130818 | 0 | None | -4 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 865 | 22 | 9 | 7 | 3.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137631599 | 163305 | 0 | None | -50 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | 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 | 163305 | 0 | None | -50 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | 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 | ||
CHEMBL319871 | 218003 | 0 | None | -177 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||||
44457043 | 104388 | 0 | None | -204 | 5 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 104388 | 0 | None | -204 | 5 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
45487415 | 204218 | 0 | None | -245 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | 204218 | 0 | None | -245 | 4 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | ||
11845276 | 86828 | 0 | None | -7 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL212976 | 86828 | 0 | None | -7 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | ||
44394695 | 129936 | 0 | None | -2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 833 | 22 | 9 | 6 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361253 | 129936 | 0 | None | -2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 833 | 22 | 9 | 6 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
155563222 | 182070 | 0 | None | -69 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 182070 | 0 | None | -69 | 4 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||
CHEMBL3287329 | 218090 | 0 | None | -4 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||||
155558348 | 181815 | 0 | None | -11 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 181815 | 0 | None | -11 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
155562237 | 182488 | 0 | None | -104 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 182488 | 0 | None | -104 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
164623811 | 192679 | 0 | None | -1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 192679 | 0 | None | -1 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
CHEMBL427629 | 220136 | 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]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 | ||||
137655905 | 165607 | 0 | None | -51 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | 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 | 165607 | 0 | None | -51 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | 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 | ||
44413828 | 146071 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL379168 | 146071 | 0 | None | -5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
25132864 | 179381 | 0 | None | -42 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | ||
CHEMBL449050 | 179381 | 0 | None | -42 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | ||
162672755 | 189869 | 0 | None | -35 | 3 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 189869 | 0 | None | -35 | 3 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||
90643805 | 118522 | 0 | None | -7 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | 118522 | 0 | None | -7 | 5 | Mouse | 7.7 | pEC50 | = | 7.7 | 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 | ||
127047853 | 146771 | 0 | None | -123 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 146771 | 0 | None | -123 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
164610489 | 191334 | 0 | None | -1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 191334 | 0 | None | -1 | 3 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
11239907 | 139905 | 0 | None | -380 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | 139905 | 0 | None | -380 | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | 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 | ||
137634090 | 163078 | 0 | None | -15 | 6 | Human | 4.7 | pEC50 | = | 4.7 | 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 | 163078 | 0 | None | -15 | 6 | Human | 4.7 | pEC50 | = | 4.7 | 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 | ||
CHEMBL2323529 | 216289 | 0 | None | -28 | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | 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 | ||||
CHEMBL2369131 | 216372 | 0 | None | -6 | 4 | 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 | ||||
CHEMBL5081077 | 221496 | 0 | None | -29 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | 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 | ||||
9867330 | 104617 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | ||
CHEMBL272099 | 104617 | 0 | None | -14 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | ||
CHEMBL2323787 | 216292 | 0 | None | -11 | 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](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 | ||||
44441684 | 100906 | 0 | None | -28 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 100906 | 0 | None | -28 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
44323015 | 118210 | 0 | None | -25 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL327450 | 118210 | 0 | None | -25 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
137657206 | 166450 | 0 | None | 1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 166450 | 0 | None | 1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
11845272 | 87133 | 0 | None | -23 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL214347 | 87133 | 0 | None | -23 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
44457002 | 104348 | 0 | None | -5 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
CHEMBL270691 | 104348 | 0 | None | -5 | 3 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 440 | 4 | 1 | 2 | 5.4 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 | 10.1021/jm701303z | ||
44394626 | 72558 | 0 | None | -14 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 743 | 19 | 8 | 6 | 1.7 | CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL183476 | 72558 | 0 | None | -14 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 743 | 19 | 8 | 6 | 1.7 | CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
25132524 | 183537 | 0 | None | -7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
CHEMBL460349 | 183537 | 0 | None | -7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | ||
122184637 | 129214 | 0 | None | -3 | 4 | Human | 5.6 | pEC50 | = | 5.6 | 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 | 129214 | 0 | None | -3 | 4 | Human | 5.6 | pEC50 | = | 5.6 | 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 | ||
CHEMBL448536 | 220738 | 0 | None | -85 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||||
164619151 | 192333 | 0 | None | 1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 192333 | 0 | None | 1 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL409636 | 219552 | 0 | None | -1 | 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]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 | ||||
44397461 | 133005 | 0 | None | -27 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | 133005 | 0 | None | -27 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | ||
CHEMBL2370963 | 216745 | 0 | None | -85 | 2 | Human | 5.6 | pEC50 | = | 5.6 | 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 | ||||
44441685 | 100907 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 100907 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
45487294 | 203592 | 0 | None | -23 | 4 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | 203592 | 0 | None | -23 | 4 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||
118735101 | 125579 | 0 | None | -64 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | 125579 | 0 | None | -64 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | ||
CHEMBL433296 | 220415 | 0 | None | -39 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||||
168295131 | 199021 | 0 | None | -16 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 199021 | 0 | None | -16 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
11845440 | 145450 | 0 | None | -23 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | ||
CHEMBL377778 | 145450 | 0 | None | -23 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | ||
CHEMBL50056 | 220898 | 2 | None | -15 | 7 | Human | 6.6 | pEC50 | = | 6.6 | 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/jm060384p | ||||
1338 | 10579 | 43 | None | -616 | 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/j.bmcl.2005.11.095 | ||
9938402 | 10579 | 43 | None | -616 | 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/j.bmcl.2005.11.095 | ||
CHEMBL339053 | 10579 | 43 | None | -616 | 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/j.bmcl.2005.11.095 | ||
1338 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
9938402 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
CHEMBL339053 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
1338 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
9938402 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
CHEMBL339053 | 10579 | 43 | None | -616 | 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 | 10.1021/jm025539h | ||
44448660 | 101748 | 0 | None | -691 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 101748 | 0 | None | -691 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
44569175 | 195601 | 0 | None | -12 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | ||
CHEMBL506272 | 195601 | 0 | None | -12 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL410795 | 219621 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||||
CHEMBL370254 | 218945 | 3 | None | -91 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||||
49862425 | 21832 | 0 | None | -91 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | 21832 | 0 | None | -91 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | ||
CHEMBL524861 | 222402 | 0 | None | -17 | 4 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | ||||
137640715 | 163782 | 0 | None | -34 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 163782 | 0 | None | -34 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
137649203 | 164287 | 0 | None | -1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 164287 | 0 | None | -1 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
145990599 | 173634 | 0 | None | -4 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | 173634 | 0 | None | -4 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
CHEMBL2323798 | 216303 | 0 | None | -85 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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](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 | ||||
145980198 | 173465 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 692 | 17 | 7 | 6 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
CHEMBL4282109 | 173465 | 0 | None | -1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 692 | 17 | 7 | 6 | 2.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
45487299 | 204154 | 0 | None | -48 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 661 | 19 | 8 | 8 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
CHEMBL569222 | 204154 | 0 | None | -48 | 2 | Mouse | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 661 | 19 | 8 | 8 | 0.5 | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O | 10.1016/j.bmcl.2009.07.025 | ||
155544214 | 180110 | 0 | None | -8 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 180110 | 0 | None | -8 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
45487403 | 204214 | 0 | None | -2630 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | 204214 | 0 | None | -2630 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||
11846669 | 87052 | 0 | None | -18 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL213956 | 87052 | 0 | None | -18 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | ||
137656489 | 166489 | 0 | None | -14 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 166489 | 0 | None | -14 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
10886436 | 125935 | 0 | None | -537 | 5 | Mouse | 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/acs.jmedchem.0c02041 | ||
CHEMBL342954 | 125935 | 0 | None | -537 | 5 | Mouse | 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/acs.jmedchem.0c02041 | ||
44441644 | 161617 | 0 | None | -69 | 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 | 161617 | 0 | None | -69 | 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 | ||
CHEMBL434357 | 220431 | 0 | None | -19 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | COP(=O)(N[C@@H](Cc1ccc(Cl)cc1)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)OC | 10.1016/j.bmcl.2004.07.046 | ||||
44413880 | 84721 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | ||
CHEMBL209587 | 84721 | 0 | None | -10 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | ||
11263053 | 74795 | 0 | None | -363 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 74795 | 0 | None | -363 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
137659790 | 166101 | 0 | None | -11 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | 166101 | 0 | None | -11 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | 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 | ||
137653925 | 165386 | 0 | None | -64 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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 | 165386 | 0 | None | -64 | 4 | Human | 4.6 | pEC50 | = | 4.6 | Functional | 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 | ||
CHEMBL427205 | 220131 | 0 | None | 1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||||
24774602 | 175710 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL438744 | 175710 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||
CHEMBL3799094 | 219047 | 0 | None | -97 | 5 | Mouse | 7.6 | pEC50 | = | 7.6 | 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 | ||||
CHEMBL2115441 | 216047 | 0 | None | -144 | 4 | 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](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 | ||||
155549385 | 180584 | 0 | None | -4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 180584 | 0 | None | -4 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
25132525 | 183504 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | ||
CHEMBL460142 | 183504 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | ||
145971673 | 171477 | 0 | None | -4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 837 | 11 | 12 | 9 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4217191 | 171477 | 0 | None | -4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 837 | 11 | 12 | 9 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
44400428 | 132455 | 0 | None | -331 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | 132455 | 0 | None | -331 | 4 | Mouse | 6.6 | pEC50 | = | 6.6 | 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 | ||
44323032 | 213383 | 0 | None | -14 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL89004 | 213383 | 0 | None | -14 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
162672255 | 189650 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4791788 | 189650 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL383250 | 219091 | 0 | None | -18 | 3 | Human | 5.6 | pEC50 | = | 5.6 | 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](CCC(=O)O)NC1=O | 10.1021/jm0510326 | ||||
164626394 | 193370 | 0 | None | -5 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | 193370 | 0 | None | -5 | 3 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||
45487406 | 203673 | 0 | None | -24 | 4 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | 203673 | 0 | None | -24 | 4 | Mouse | 4.6 | pEC50 | = | 4.6 | 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 | ||
137659790 | 166101 | 0 | None | -11 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | 166101 | 0 | None | -11 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | 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 | ||
44413829 | 84841 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
CHEMBL210011 | 84841 | 0 | None | -10 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | ||
44445082 | 161081 | 0 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 161081 | 0 | None | 6 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
162672255 | 189650 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4791788 | 189650 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
44310344 | 104104 | 0 | None | -186 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 104104 | 0 | None | -186 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 104104 | 0 | None | -186 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
137656521 | 166523 | 0 | None | -12 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 166523 | 0 | None | -12 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
44391927 | 20763 | 0 | None | -57 | 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 | 20763 | 0 | None | -57 | 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 | 20763 | 0 | None | -57 | 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 | ||
168296647 | 199254 | 0 | None | -158 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 199254 | 0 | None | -158 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
44441648 | 161470 | 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 | 161470 | 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 | ||
44413842 | 145155 | 0 | None | -5 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377210 | 145155 | 0 | None | -5 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44394624 | 103791 | 0 | None | -60 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 964 | 27 | 11 | 9 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL266665 | 103791 | 0 | None | -60 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 964 | 27 | 11 | 9 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL410404 | 219598 | 0 | None | -25 | 5 | Rat | 8.5 | pEC50 | = | 8.5 | 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 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
118722935 | 123014 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | 123014 | 0 | None | -1 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||
145966716 | 171084 | 0 | None | 18 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 171084 | 0 | None | 18 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
118722925 | 123007 | 0 | None | -4 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | 123007 | 0 | None | -4 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | 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 | ||
CHEMBL5094168 | 222258 | 0 | None | -42 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | 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 | ||||
118722929 | 123010 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | 123010 | 0 | None | -4 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | ||
118722939 | 123018 | 0 | None | -6 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | 123018 | 0 | None | -6 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | ||
1334 | 8283 | 7 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 8283 | 7 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 8283 | 7 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
133053557 | 170485 | 0 | None | 6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4204975 | 170485 | 0 | None | 6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
155542040 | 179857 | 0 | None | -151 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 179857 | 0 | None | -151 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
137633806 | 163260 | 0 | None | -10 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 163260 | 0 | None | -10 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
127047913 | 146702 | 0 | None | -7 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 146702 | 0 | None | -7 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
CHEMBL380638 | 219050 | 0 | None | -3 | 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](CCCC)NC1=O | 10.1021/jm0510326 | ||||
25128748 | 196770 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | ||
CHEMBL517108 | 196770 | 0 | None | -8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | ||
137656180 | 165807 | 0 | None | -144 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 165807 | 0 | None | -144 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
CHEMBL413439 | 219849 | 0 | None | -40 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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)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 | ||||
44322924 | 113889 | 0 | None | -42 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL316038 | 113889 | 0 | None | -42 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
137638218 | 163607 | 0 | None | -66 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 163607 | 0 | None | -66 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
137657607 | 166415 | 0 | None | -56 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 166415 | 0 | None | -56 | 3 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
155547842 | 180475 | 0 | None | -125 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | 180475 | 0 | None | -125 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||
CHEMBL3287060 | 218078 | 0 | None | -52 | 5 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | ||||
155554827 | 181398 | 0 | None | -8 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | 181398 | 0 | None | -8 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||
45487410 | 204217 | 0 | None | -97 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | 204217 | 0 | None | -97 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||
44394659 | 73728 | 0 | None | -288 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 754 | 19 | 9 | 7 | 1.5 | N#CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL186687 | 73728 | 0 | None | -288 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 754 | 19 | 9 | 7 | 1.5 | N#CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
46885712 | 14843 | 0 | None | -169 | 4 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 14843 | 0 | None | -169 | 4 | Human | 5.5 | pEC50 | = | 5.5 | 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 | 14843 | 0 | None | -169 | 4 | Human | 5.5 | pEC50 | = | 5.5 | 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 | ||
44457021 | 104677 | 0 | None | -17 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL272439 | 104677 | 0 | None | -17 | 3 | Mouse | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 399 | 6 | 4 | 3 | 2.2 | N=C(N)NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL185869 | 215832 | 0 | None | -89 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CCOC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL2369485 | 216407 | 0 | None | -5 | 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)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 | ||||
137641398 | 165095 | 0 | None | -416 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 165095 | 0 | None | -416 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 7.5 | pEC50 | = | 7.5 | 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.0c02041 | ||||
CHEMBL411378 | 219660 | 0 | None | -56 | 5 | Rat | 7.5 | pEC50 | = | 7.5 | 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 | ||||
164623182 | 192398 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 192398 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
44413938 | 145717 | 0 | None | -15 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378446 | 145717 | 0 | None | -15 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44394691 | 129681 | 0 | None | -15 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL360598 | 129681 | 0 | None | -15 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
145988867 | 173882 | 0 | None | -4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | ||
CHEMBL4289983 | 173882 | 0 | None | -4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 660 | 17 | 7 | 6 | 1.7 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(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 | ||
44413831 | 84839 | 0 | None | -6 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL210008 | 84839 | 0 | None | -6 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
134466953 | 163437 | 0 | None | -91 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 163437 | 0 | None | -91 | 4 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
24882615 | 104268 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
CHEMBL270270 | 104268 | 0 | None | -6 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 371 | 6 | 2 | 3 | 3.1 | NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O | 10.1021/jm701303z | ||
51351024 | 65576 | 0 | None | -13 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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)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 | 65576 | 0 | None | -13 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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)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 | 65576 | 0 | None | -13 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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)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 | 65576 | 0 | None | -13 | 4 | Mouse | 5.5 | pEC50 | = | 5.5 | 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)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 | ||
102096778 | 65580 | 0 | None | -35 | 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)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 | 65580 | 0 | None | -35 | 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)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 | 65580 | 0 | None | -35 | 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)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 | 65580 | 0 | None | -35 | 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)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 | 65580 | 0 | None | -35 | 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)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 | ||
122184910 | 129333 | 0 | None | -30 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 129333 | 0 | None | -30 | 4 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
145977650 | 170613 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL4206406 | 170613 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44577519 | 195548 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | ||
CHEMBL505536 | 195548 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | ||
45487409 | 203676 | 0 | None | -51 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | 203676 | 0 | None | -51 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||
44394783 | 133151 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 847 | 23 | 9 | 6 | 4.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365044 | 133151 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 847 | 23 | 9 | 6 | 4.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
16157270 | 219332 | 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 | 219332 | 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 | ||||
44413879 | 145680 | 0 | None | -112 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL378293 | 145680 | 0 | None | -112 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL105113 | 215245 | 0 | None | -30 | 4 | Mouse | 4.5 | pEC50 | = | 4.5 | 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 | ||||
90643802 | 118519 | 0 | None | -41 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | 118519 | 0 | None | -41 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | ||
CHEMBL3349030 | 218184 | 0 | None | 1 | 3 | Human | 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/jm000211e | ||||
155547310 | 180390 | 0 | None | -6 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 180390 | 0 | None | -6 | 3 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
164621263 | 192261 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 192261 | 0 | None | 1 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
CHEMBL89270 | 222678 | 0 | None | -11 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 10.1016/s0960-894x(03)00552-3 | ||||
11753695 | 15165 | 7 | None | -281 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 15165 | 7 | None | -281 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | ||
162670795 | 189605 | 0 | None | -21 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 189605 | 0 | None | -21 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL410168 | 219583 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||||
164624627 | 192658 | 0 | None | -2 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 192658 | 0 | None | -2 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
164627764 | 193343 | 0 | None | 2 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 193343 | 0 | None | 2 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
46885523 | 14575 | 0 | None | -512 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 493 | 4 | 1 | 6 | 3.4 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
CHEMBL1089461 | 14575 | 0 | None | -512 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 493 | 4 | 1 | 6 | 3.4 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccn1 | 10.1021/jm9017866 | ||
46885711 | 14842 | 0 | None | -123 | 3 | Human | 5.4 | pEC50 | = | 5.4 | 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 | 14842 | 0 | None | -123 | 3 | Human | 5.4 | pEC50 | = | 5.4 | 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 | ||
CHEMBL446185 | 220723 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | ||||
44415912 | 146004 | 0 | None | -23 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL378837 | 146004 | 0 | None | -23 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44408287 | 82161 | 0 | None | -218 | 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 | 82161 | 0 | None | -218 | 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 | ||
CHEMBL2371962 | 216938 | 0 | None | -1412 | 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](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 | ||||
164609130 | 191206 | 0 | None | -1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 191206 | 0 | None | -1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
164615813 | 191923 | 0 | None | -12 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 191923 | 0 | None | -12 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
11845804 | 86333 | 0 | None | -467 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL211419 | 86333 | 0 | None | -467 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||||
CHEMBL5094215 | 222260 | 0 | None | -46 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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 | ||||
168285904 | 198449 | 0 | None | -234 | 4 | Human | 6.4 | pEC50 | = | 6.4 | 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 | 198449 | 0 | None | -234 | 4 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
162654633 | 187423 | 0 | None | -43 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 187423 | 0 | None | -43 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL263878 | 217377 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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)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 | ||||
168290510 | 198676 | 0 | None | -4 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 198676 | 0 | None | -4 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL5085972 | 221782 | 0 | None | -4 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | 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 | ||||
CHEMBL91957 | 222684 | 0 | None | -35 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||||
137659091 | 166119 | 0 | None | -41 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 166119 | 0 | None | -41 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
51350673 | 65574 | 0 | None | -20 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
53317148 | 65574 | 0 | None | -20 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
91932362 | 65574 | 0 | None | -20 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
CHEMBL1688104 | 65574 | 0 | None | -20 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
122184909 | 129332 | 0 | None | -13 | 4 | Human | 5.4 | pEC50 | = | 5.4 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3601427 | 129332 | 0 | None | -13 | 4 | Human | 5.4 | pEC50 | = | 5.4 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL5077811 | 221295 | 0 | None | -72 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||||
155553683 | 180962 | 0 | None | -13 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | 180962 | 0 | None | -13 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | 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 | ||
CHEMBL5080489 | 221468 | 0 | None | -4 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | 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 | ||||
145976863 | 170537 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 170537 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
1324 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL439128 | 220604 | 0 | None | -1 | 3 | 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)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 | ||||
44394623 | 148316 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 936 | 26 | 11 | 8 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL384720 | 148316 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 936 | 26 | 11 | 8 | 2.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44322896 | 174751 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL431801 | 174751 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
25133210 | 176236 | 0 | None | -44 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | ||
CHEMBL442829 | 176236 | 0 | None | -44 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | ||
134463477 | 166031 | 0 | None | -131 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 166031 | 0 | None | -131 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
132180597 | 162950 | 0 | None | -275 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 162950 | 0 | None | -275 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
155550083 | 180693 | 0 | None | -13 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 180693 | 0 | None | -13 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
155556466 | 181195 | 0 | None | -56 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 181195 | 0 | None | -56 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
162666503 | 189009 | 0 | None | -36 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 189009 | 0 | None | -36 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
44322787 | 112741 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL312998 | 112741 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
162669632 | 189344 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4787753 | 189344 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL409049 | 219524 | 0 | None | - | 1 | 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]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 | ||||
137646802 | 164730 | 0 | None | -19 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
CHEMBL4084671 | 164730 | 0 | None | -19 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
155531140 | 178397 | 0 | None | -13 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 178397 | 0 | None | -13 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
164621924 | 192730 | 0 | None | -6 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 192730 | 0 | None | -6 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
44347927 | 164055 | 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 | 164055 | 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 | ||
CHEMBL2323788 | 216293 | 0 | None | -75 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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](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 | ||||
16007263 | 86571 | 0 | None | -23 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL211975 | 86571 | 0 | None | -23 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
44394784 | 133073 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 861 | 23 | 9 | 7 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365019 | 133073 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 861 | 23 | 9 | 7 | 3.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL321870 | 218011 | 0 | None | -79 | 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](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm010524p | ||||
46885526 | 14536 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | ||
CHEMBL1089135 | 14536 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | ||
CHEMBL1204056 | 14536 | 0 | None | -51 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 456 | 4 | 1 | 5 | 3.2 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)C1CC1 | 10.1021/jm9017866 | ||
122179552 | 128265 | 0 | None | -74 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 128265 | 0 | None | -74 | 4 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
44456957 | 104814 | 0 | None | -18 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 432 | 5 | 1 | 2 | 5.2 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
CHEMBL273044 | 104814 | 0 | None | -18 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 432 | 5 | 1 | 2 | 5.2 | O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 | 10.1021/jm701303z | ||
44413931 | 84790 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL209789 | 84790 | 0 | None | -9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
145948876 | 174262 | 0 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 174262 | 0 | None | 5 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL3349030 | 218184 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||||
164624386 | 192977 | 0 | None | 1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | 192977 | 0 | None | 1 | 3 | Mouse | 6.4 | pEC50 | = | 6.4 | 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 | ||
44394693 | 103373 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 805 | 20 | 9 | 6 | 2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL263234 | 103373 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 805 | 20 | 9 | 6 | 2.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL382369 | 219084 | 0 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | 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(=O)O)NC1=O | 10.1021/jm0510326 | ||||
164627732 | 193273 | 0 | None | -14 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 193273 | 0 | None | -14 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
44441647 | 161469 | 0 | None | -18 | 3 | Human | 6.4 | pEC50 | = | 6.4 | 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 | 161469 | 0 | None | -18 | 3 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
168278924 | 197845 | 0 | None | -22 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 197845 | 0 | None | -22 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||
CHEMBL50056 | 220898 | 2 | None | -138 | 7 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 220898 | 2 | None | -138 | 7 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||||
45487404 | 204215 | 0 | None | -8709 | 5 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | 204215 | 0 | None | -8709 | 5 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||
44569176 | 179324 | 0 | None | -48 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | ||
CHEMBL448410 | 179324 | 0 | None | -48 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | ||
25129107 | 180556 | 0 | None | -36 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | ||
CHEMBL453734 | 180556 | 0 | None | -36 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | ||
11181928 | 172936 | 0 | None | -13 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | 172936 | 0 | None | -13 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | 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 | ||
155561730 | 182432 | 0 | None | -144 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 182432 | 0 | None | -144 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
44305956 | 109538 | 0 | None | -1 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 109538 | 0 | None | -1 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 210118 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | 210118 | 0 | None | 1 | 3 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||
155550338 | 181087 | 0 | None | -630 | 3 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | 181087 | 0 | None | -630 | 3 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||
CHEMBL317228 | 217979 | 0 | None | -10 | 4 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | ||||
CHEMBL184870 | 215830 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | C=CCNC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44322959 | 162854 | 0 | None | -22 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL406276 | 162854 | 0 | None | -22 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
44408154 | 148140 | 0 | None | -316 | 4 | Human | 6.4 | pEC50 | = | 6.4 | 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 | 148140 | 0 | None | -316 | 4 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
44322788 | 164162 | 0 | None | -58 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL407825 | 164162 | 0 | None | -58 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL2323789 | 216294 | 0 | None | -2290 | 4 | Mouse | 5.4 | pEC50 | = | 5.4 | 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 | ||||
44394690 | 131426 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL364119 | 131426 | 0 | None | -14 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
168285101 | 198423 | 0 | None | -213 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 198423 | 0 | None | -213 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
46885760 | 15050 | 0 | None | -102 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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)c1c(F)cccc1F | 10.1021/jm9017866 | ||
CHEMBL1092550 | 15050 | 0 | None | -102 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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)c1c(F)cccc1F | 10.1021/jm9017866 | ||
137653916 | 165359 | 0 | None | -18 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 165359 | 0 | None | -18 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
44394582 | 175153 | 0 | None | -2 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 771 | 21 | 8 | 6 | 2.5 | CCCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL434544 | 175153 | 0 | None | -2 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 771 | 21 | 8 | 6 | 2.5 | CCCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
102096778 | 65580 | 0 | None | -35 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm101425m | ||
51351277 | 65580 | 0 | None | -35 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm101425m | ||
53322400 | 65580 | 0 | None | -35 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm101425m | ||
91932360 | 65580 | 0 | None | -35 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm101425m | ||
CHEMBL1688111 | 65580 | 0 | None | -35 | 4 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm101425m | ||
CHEMBL3600840 | 218596 | 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 | ||||
137641157 | 163843 | 0 | None | -131 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | 163843 | 0 | None | -131 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||
90643804 | 118521 | 0 | None | -42 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 118521 | 0 | None | -42 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
127046235 | 146416 | 0 | None | -380 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 146416 | 0 | None | -380 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
44394581 | 128927 | 0 | None | -12 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 755 | 19 | 9 | 6 | 1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359702 | 128927 | 0 | None | -12 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 755 | 19 | 9 | 6 | 1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL2323795 | 216300 | 0 | None | -97 | 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](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 | ||||
46885482 | 15102 | 0 | None | -81 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1092860 | 15102 | 0 | None | -81 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
51351151 | 65579 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
53318437 | 65579 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
91932359 | 65579 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
CHEMBL1688110 | 65579 | 0 | None | -15 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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/jm101425m | ||
44394580 | 128926 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 757 | 19 | 8 | 6 | 2.0 | CC(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL359701 | 128926 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 757 | 19 | 8 | 6 | 2.0 | CC(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
145972289 | 171299 | 0 | None | 27 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
CHEMBL4214826 | 171299 | 0 | None | 27 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
137637283 | 162759 | 0 | None | -15 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 162759 | 0 | None | -15 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
1323 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 9465 | 55 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
11158573 | 77894 | 0 | None | -12 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | 77894 | 0 | None | -12 | 4 | Mouse | 8.3 | pEC50 | = | 8.3 | 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 | ||
CHEMBL405791 | 219359 | 0 | None | -1 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | 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 | ||||
CHEMBL2372570 | 217050 | 0 | None | -53 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O | 10.1021/jm9017866 | ||||
44415920 | 87146 | 0 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL214410 | 87146 | 0 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
1334 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44577515 | 195786 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 195786 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
155555182 | 181100 | 0 | None | -20 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 181100 | 0 | None | -20 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
155561743 | 182551 | 0 | None | -3 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 182551 | 0 | None | -3 | 4 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
155568641 | 182876 | 0 | None | -83 | 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 | 182876 | 0 | None | -83 | 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 | ||
46885415 | 15051 | 0 | None | -15 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 468 | 4 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)[C@H]2CN(C3CCC3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1092571 | 15051 | 0 | None | -15 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 468 | 4 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)[C@H]2CN(C3CCC3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
155566298 | 182572 | 0 | None | -38 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 182572 | 0 | None | -38 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
137634306 | 163101 | 0 | None | -1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
CHEMBL4065669 | 163101 | 0 | None | -1 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
155554244 | 181728 | 0 | None | -28 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | 181728 | 0 | None | -28 | 3 | Mouse | 4.3 | pEC50 | = | 4.3 | 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 | ||
168277543 | 197454 | 0 | None | -125 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 197454 | 0 | None | -125 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
25129109 | 195481 | 0 | None | -30 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | ||
CHEMBL504349 | 195481 | 0 | None | -30 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | ||
132180653 | 181838 | 0 | None | -51 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 181838 | 0 | None | -51 | 3 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
137648053 | 164318 | 0 | None | -30 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 164318 | 0 | None | -30 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
122184911 | 129334 | 0 | None | -10 | 4 | Human | 5.3 | pEC50 | = | 5.3 | 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 | 129334 | 0 | None | -10 | 4 | Human | 5.3 | pEC50 | = | 5.3 | 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 | ||
118735099 | 125577 | 0 | None | -4 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 125577 | 0 | None | -4 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||
25133209 | 180130 | 0 | None | -19 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | ||
CHEMBL452710 | 180130 | 0 | None | -19 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | ||
1334 | 8283 | 7 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 8283 | 7 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 8283 | 7 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
164621414 | 192553 | 0 | None | -7 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | 192553 | 0 | None | -7 | 3 | Mouse | 5.3 | pEC50 | = | 5.3 | 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 | ||
CHEMBL503449 | 220945 | 0 | None | -99 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||||
CHEMBL444219 | 220709 | 0 | None | -120 | 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(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
137636965 | 162995 | 0 | None | -13 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | 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 | 162995 | 0 | None | -13 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | 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 | ||
44408173 | 82176 | 0 | None | -186 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 82176 | 0 | None | -186 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
137658359 | 166350 | 0 | None | -33 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | 166350 | 0 | None | -33 | 4 | Mouse | 6.3 | pEC50 | = | 6.3 | 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 | ||
44413876 | 86519 | 0 | None | -93 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL211699 | 86519 | 0 | None | -93 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | ||
44413876 | 86519 | 0 | None | -93 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | ||
CHEMBL211699 | 86519 | 0 | None | -93 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | ||
25132526 | 195702 | 0 | None | -69 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | ||
CHEMBL507876 | 195702 | 0 | None | -69 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | ||
118735103 | 125581 | 0 | None | -1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 125581 | 0 | None | -1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||
90643806 | 118523 | 0 | None | -87 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | 118523 | 0 | None | -87 | 5 | Mouse | 7.3 | pEC50 | = | 7.3 | 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 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | ||||
44408253 | 147122 | 0 | None | -54 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 147122 | 0 | None | -54 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
CHEMBL2304248 | 216264 | 0 | None | -3 | 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 | ||||
CHEMBL183315 | 215822 | 0 | None | -6 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44394734 | 71331 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 791 | 19 | 9 | 6 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL181494 | 71331 | 0 | None | -4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 791 | 19 | 9 | 6 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
44577520 | 195603 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 195603 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||
CHEMBL5078687 | 221359 | 0 | None | -25 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | ||||
44413913 | 145451 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377779 | 145451 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | ||
145988152 | 173823 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | ||
CHEMBL4288909 | 173823 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | ||
132180599 | 163672 | 0 | None | 1 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 163672 | 0 | None | 1 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
46885759 | 15048 | 0 | None | -95 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 15048 | 0 | None | -95 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
44322994 | 113774 | 0 | None | -60 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL315258 | 113774 | 0 | None | -60 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | ||
25129108 | 179475 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | ||
CHEMBL450236 | 179475 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | ||
44322977 | 118346 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL328117 | 118346 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
45487414 | 204060 | 0 | None | -54 | 4 | Mouse | 4.2 | pEC50 | = | 4.2 | 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 | 204060 | 0 | None | -54 | 4 | Mouse | 4.2 | pEC50 | = | 4.2 | 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 | ||
11061068 | 38066 | 0 | None | -138 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 38066 | 0 | None | -138 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL2372365 | 217003 | 0 | None | -1 | 3 | Rat | 7.2 | pEC50 | = | 7.2 | 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 | ||||
44408155 | 147331 | 0 | None | -134 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 147331 | 0 | None | -134 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
44413932 | 144324 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | ||
CHEMBL375440 | 144324 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | ||
44415918 | 148327 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL384774 | 148327 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
155564058 | 182113 | 0 | None | -30 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | 182113 | 0 | None | -30 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | ||
44275650 | 100829 | 0 | None | -15 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 100829 | 0 | None | -15 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
44322895 | 170149 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL419307 | 170149 | 0 | None | -3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL2370964 | 216746 | 0 | None | -47 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL2370964 | 216746 | 0 | None | -47 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL5080784 | 221485 | 0 | None | -9 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||||
CHEMBL5090285 | 222032 | 0 | None | -8 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm049579s | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm049579s | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm049579s | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm049579s | ||||
16132144 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm030111j | ||||
16133793 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm030111j | ||||
44273719 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm030111j | ||||
CHEMBL214332 | 216058 | 36 | None | -7 | 8 | Human | 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 | 10.1021/jm030111j | ||||
1324 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16154396 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16197727 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44285019 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
57514683 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
91898441 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL441738 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
DB04931 | 7090 | 25 | None | -15 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL405335 | 219335 | 0 | None | -39 | 4 | Mouse | 8.2 | pEC50 | = | 8.2 | 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(=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 | ||||
155539948 | 179665 | 0 | None | -30 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 179665 | 0 | None | -30 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
155542149 | 179871 | 0 | None | -30 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 179871 | 0 | None | -30 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
155563055 | 182074 | 0 | None | -12 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 182074 | 0 | None | -12 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
162670951 | 189617 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4791306 | 189617 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
46885558 | 14581 | 0 | None | -151 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccncn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1089483 | 14581 | 0 | None | -151 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 492 | 4 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)[C@H]2CN(c3ccncn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
137649368 | 164185 | 0 | None | -70 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 164185 | 0 | None | -70 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
9852256 | 182146 | 0 | None | -15 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 182146 | 0 | None | -15 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
162670951 | 189617 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4791306 | 189617 | 0 | None | -4 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
137651071 | 164246 | 0 | None | -158 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 164246 | 0 | None | -158 | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
CHEMBL451423 | 220747 | 0 | None | -47 | 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([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 | ||||
CHEMBL509582 | 222325 | 0 | None | -16 | 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](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 | ||||
164625186 | 192746 | 0 | None | -6 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | 192746 | 0 | None | -6 | 3 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||
137637656 | 163017 | 0 | None | -69 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 163017 | 0 | None | -69 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
CHEMBL2448525 | 217278 | 0 | None | -977 | 4 | Mouse | 4.2 | pEC50 | = | 4.2 | 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 | ||||
CHEMBL411400 | 219662 | 0 | None | -457 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | 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 | ||||
44408275 | 82194 | 0 | None | -120 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 82194 | 0 | None | -120 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
44323034 | 213309 | 0 | None | -46 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL88537 | 213309 | 0 | None | -46 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
44394735 | 130093 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361578 | 130093 | 0 | None | -34 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
168273822 | 197349 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | 197349 | 0 | None | -61 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | 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 | ||
46885481 | 14527 | 0 | None | -12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnc3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
CHEMBL1089104 | 14527 | 0 | None | -12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 4.6 | C[C@H]1CN(C(=O)[C@H]2CN(c3cccnc3)C[C@@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1ccccc1 | 10.1021/jm9017866 | ||
162671821 | 189682 | 0 | None | -4 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 189682 | 0 | None | -4 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL415200 | 219958 | 0 | None | -77 | 5 | Rat | 6.2 | pEC50 | = | 6.2 | 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 | ||||
CHEMBL184644 | 215829 | 0 | None | -16 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44394736 | 130094 | 0 | None | -25 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL361579 | 130094 | 0 | None | -25 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 797 | 19 | 9 | 7 | 2.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
11846844 | 146857 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL380051 | 146857 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
44441642 | 161184 | 0 | None | -77 | 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 | 161184 | 0 | None | -77 | 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 | ||
137640703 | 163876 | 0 | None | -1202 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | 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 | 163876 | 0 | None | -1202 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | 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 | ||
CHEMBL264190 | 217387 | 1 | None | -3 | 8 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL406842 | 219403 | 0 | None | -66 | 5 | Rat | 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](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 | ||||
CHEMBL5077095 | 221258 | 0 | None | -57 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||||
162665266 | 188960 | 0 | None | -1 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 188960 | 0 | None | -1 | 3 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
155549302 | 180582 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | 180582 | 0 | None | -7 | 3 | Mouse | 6.2 | pEC50 | = | 6.2 | 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 | ||
1334 | 8283 | 7 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 8283 | 7 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 8283 | 7 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
10146211 | 71103 | 0 | None | -2511 | 3 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 71103 | 0 | None | -2511 | 3 | Human | 5.2 | pEC50 | = | 5.2 | 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 | ||
122184577 | 129207 | 0 | None | -7 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600838 | 129207 | 0 | None | -7 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
46885480 | 14526 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 14526 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
44322812 | 119159 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL329586 | 119159 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL2323800 | 216305 | 0 | None | -446 | 4 | Mouse | 5.2 | pEC50 | = | 5.2 | 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 | ||||
46232226 | 207862 | 0 | None | -891 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 207862 | 0 | None | -891 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
CHEMBL5075506 | 221158 | 0 | None | -512 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | 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 | ||||
155549865 | 180635 | 0 | None | -18 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 180635 | 0 | None | -18 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
137647009 | 164633 | 0 | None | -30 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1122 | 22 | 14 | 16 | -1.6 | 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](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4083755 | 164633 | 0 | None | -30 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1122 | 22 | 14 | 16 | -1.6 | 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](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
145964837 | 171126 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 171126 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||||
45487413 | 204030 | 0 | None | -6 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 204030 | 0 | None | -6 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
137646617 | 164323 | 0 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | 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 | 164323 | 0 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | 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 | ||
46885524 | 14576 | 0 | None | -354 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL1089462 | 14576 | 0 | None | -354 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
CHEMBL1204054 | 14576 | 0 | None | -354 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 458 | 5 | 1 | 5 | 3.6 | CCC[C@]1(O)[C@@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@H]1C | 10.1021/jm9017866 | ||
1324 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16154396 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16197727 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
44285019 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
57514683 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
91898441 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL441738 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
DB04931 | 7090 | 25 | None | -6 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL406891 | 219405 | 0 | None | -34 | 5 | Rat | 7.1 | pEC50 | = | 7.1 | 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 | ||||
CHEMBL3349030 | 218184 | 0 | None | 1 | 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 | ||||
CHEMBL3600922 | 218604 | 0 | None | -4 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
44394730 | 139265 | 0 | None | -53 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 772 | 21 | 10 | 7 | 0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL369770 | 139265 | 0 | None | -53 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 772 | 21 | 10 | 7 | 0.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137647538 | 164741 | 0 | None | -1445 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 164741 | 0 | None | -1445 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||
145975465 | 170728 | 0 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 170728 | 0 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
145964017 | 170820 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 170820 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
53318436 | 65577 | 0 | None | -46 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 65577 | 0 | None | -46 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
46919520 | 21910 | 0 | None | -549 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 21910 | 0 | None | -549 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||
162643435 | 188446 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4776340 | 188446 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
162643435 | 188446 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4776340 | 188446 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
122184912 | 129336 | 0 | None | -3 | 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 | 129336 | 0 | None | -3 | 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 | ||
15602927 | 164661 | 0 | None | -194 | 5 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 164661 | 0 | None | -194 | 5 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
CHEMBL455826 | 220788 | 0 | None | -15 | 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(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm800291b | ||||
CHEMBL2323792 | 216297 | 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 | ||||
44457067 | 104518 | 0 | None | -1548 | 5 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 104518 | 0 | None | -1548 | 5 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
44335147 | 11364 | 0 | None | -12 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 11364 | 0 | None | -12 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
49862377 | 21813 | 0 | None | -13 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 21813 | 0 | None | -13 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
155543031 | 179960 | 0 | None | -13 | 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.9b00053 | ||
CHEMBL4522298 | 179960 | 0 | None | -13 | 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.9b00053 | ||
155560756 | 181864 | 0 | None | -15 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 181864 | 0 | None | -15 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
CHEMBL3600921 | 218603 | 0 | None | -1 | 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 | ||||
CHEMBL2323797 | 216302 | 0 | None | -426 | 4 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||||
137648144 | 164537 | 0 | None | -38 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1127 | 22 | 14 | 17 | -1.5 | 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](Cc2csc3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
CHEMBL4082585 | 164537 | 0 | None | -38 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1127 | 22 | 14 | 17 | -1.5 | 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](Cc2csc3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.7b00353 | ||
11845438 | 144401 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
CHEMBL375775 | 144401 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | ||
44394627 | 130859 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 757 | 20 | 8 | 6 | 2.1 | CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL363272 | 130859 | 0 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 757 | 20 | 8 | 6 | 2.1 | CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44416135 | 86959 | 0 | None | -38 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
CHEMBL213566 | 86959 | 0 | None | -38 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | ||
25133208 | 178773 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | ||
CHEMBL447117 | 178773 | 0 | None | -8 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | ||
CHEMBL491870 | 220856 | 0 | None | -213 | 5 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||||
44441646 | 160867 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 160867 | 0 | None | -10 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
CHEMBL88185 | 222675 | 0 | None | -38 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CS(=O)(=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 | 10.1016/s0960-894x(03)00552-3 | ||||
25133207 | 179722 | 0 | None | -18 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | ||
CHEMBL451694 | 179722 | 0 | None | -18 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | ||
44413930 | 145426 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
CHEMBL377620 | 145426 | 0 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | ||
122179551 | 128264 | 0 | None | -22 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | 128264 | 0 | None | -22 | 4 | Mouse | 6.1 | pEC50 | = | 6.1 | 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 | ||
44394787 | 172767 | 0 | None | -4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 821 | 21 | 9 | 7 | 2.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL425348 | 172767 | 0 | None | -4 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 821 | 21 | 9 | 7 | 2.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL181161 | 215759 | 0 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||||
44394585 | 73540 | 0 | None | -63 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 755 | 20 | 9 | 6 | 2.1 | C=CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL185868 | 73540 | 0 | None | -63 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 755 | 20 | 9 | 6 | 2.1 | C=CCC(=O)N[C@@H](Cc1ccc(Cl)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 | 10.1016/j.bmcl.2004.07.046 | ||
137636677 | 162879 | 0 | None | -295 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | 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 | 162879 | 0 | None | -295 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | 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 | ||
11845813 | 146582 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL379879 | 146582 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | ||
CHEMBL410217 | 219587 | 0 | None | -38 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=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 | ||||
44408252 | 147447 | 0 | None | -77 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 147447 | 0 | None | -77 | 4 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
49862378 | 21814 | 0 | None | -83 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 21814 | 0 | None | -83 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||
44394584 | 103345 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 797 | 19 | 9 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL263047 | 103345 | 0 | None | -5 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 797 | 19 | 9 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
137636060 | 163010 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | 163010 | 0 | None | 2 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | ||
10078903 | 74794 | 0 | None | -28 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 74794 | 0 | None | -28 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | ||
44323029 | 213960 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL92481 | 213960 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
168285801 | 198260 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 198260 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
CHEMBL3600841 | 218597 | 0 | None | 1 | 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)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 | ||||
49862375 | 21811 | 0 | None | -16 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 21811 | 0 | None | -16 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
163196518 | 198908 | 2 | None | -52 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | 198908 | 2 | None | -52 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | 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 | ||
CHEMBL187125 | 215834 | 0 | None | -30 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
44448631 | 101845 | 0 | None | -416 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
CHEMBL255286 | 101845 | 0 | None | -416 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
CHEMBL359765 | 218586 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||||
CHEMBL343094 | 218476 | 0 | None | -57 | 4 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | ||||
44322987 | 103507 | 0 | None | -20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL264306 | 103507 | 0 | None | -20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
137653704 | 165412 | 0 | None | -6 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | 165412 | 0 | None | -6 | 4 | Mouse | 6.0 | pEC50 | = | 6.0 | 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 | ||
90643808 | 118524 | 0 | None | -93 | 5 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 118524 | 0 | None | -93 | 5 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
24774356 | 101600 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 861 | 9 | 10 | 8 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL253574 | 101600 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 861 | 9 | 10 | 8 | 0.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | ||
CHEMBL5091245 | 222079 | 0 | None | -26 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | 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 | ||||
CHEMBL414778 | 219935 | 0 | None | -154 | 4 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||||
CHEMBL50056 | 220898 | 2 | None | -138 | 7 | Mouse | 6.0 | pEC50 | = | 6.0 | 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/acsmedchemlett.5b00053 | ||||
44394586 | 133557 | 0 | None | -13 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 759 | 20 | 8 | 7 | 1.0 | COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL365385 | 133557 | 0 | None | -13 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 759 | 20 | 8 | 7 | 1.0 | COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)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 | 10.1016/j.bmcl.2004.07.046 | ||
44448629 | 174242 | 0 | None | -346 | 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 | 174242 | 0 | None | -346 | 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 | ||
CHEMBL2112008 | 216005 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||||
44323033 | 113929 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
CHEMBL316259 | 113929 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | ||
25132867 | 179277 | 0 | None | -38 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | ||
CHEMBL448337 | 179277 | 0 | None | -38 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | ||
44408276 | 82282 | 0 | None | -134 | 4 | Human | 6.0 | pEC50 | = | 6 | 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 | 82282 | 0 | None | -134 | 4 | Human | 6.0 | pEC50 | = | 6 | 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 | ||
6918813 | 138149 | 3 | None | -144 | 4 | Human | 6.0 | pEC50 | = | 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 | ||
CHEMBL368876 | 138149 | 3 | None | -144 | 4 | Human | 6.0 | pEC50 | = | 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 | ||
44335147 | 11364 | 0 | None | -12 | 4 | Mouse | 5.0 | pEC50 | = | 5 | 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 | 11364 | 0 | None | -12 | 4 | Mouse | 5.0 | pEC50 | = | 5 | 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 | ||
44394692 | 72988 | 0 | None | -33 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
CHEMBL184466 | 72988 | 0 | None | -33 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 792 | 19 | 9 | 7 | 2.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.bmcl.2004.07.046 | ||
11753695 | 15165 | 7 | None | -501 | 8 | Rat | 6.0 | pEC50 | = | 6 | Functional | 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 | 15165 | 7 | None | -501 | 8 | Rat | 6.0 | pEC50 | = | 6 | Functional | 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 | ||
CHEMBL2370968 | 216750 | 0 | None | -63 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 216750 | 0 | None | -63 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||||
CHEMBL2370964 | 216746 | 0 | None | -47 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||||
CHEMBL2370964 | 216746 | 0 | None | -47 | 4 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||||
162673640 | 189761 | 0 | None | -20 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | ||
CHEMBL4793346 | 189761 | 0 | None | -20 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | ||
162673640 | 189761 | 0 | None | -20 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | ||
CHEMBL4793346 | 189761 | 0 | None | -20 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@@H](CCCN)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.0c01620 | ||
162677173 | 190307 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1088 | 18 | 14 | 11 | 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](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4799891 | 190307 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1088 | 18 | 14 | 11 | 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](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
162677173 | 190307 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1088 | 18 | 14 | 11 | 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](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4799891 | 190307 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 1088 | 18 | 14 | 11 | 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](CCCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
162664942 | 188972 | 0 | None | -2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | ||
CHEMBL4782808 | 188972 | 0 | None | -2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | ||
162644475 | 188584 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4778074 | 188584 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
162644475 | 188584 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4778074 | 188584 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
101043845 | 197171 | 1 | None | -4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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.1c01295 | ||
CHEMBL5177536 | 197171 | 1 | None | -4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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.1c01295 | ||
101043845 | 197171 | 1 | None | -4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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.1c01295 | ||
CHEMBL5177536 | 197171 | 1 | None | -4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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.1c01295 | ||
162668987 | 189369 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | ||
CHEMBL4788071 | 189369 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | ||
162668987 | 189369 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | ||
CHEMBL4788071 | 189369 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | ||
162674869 | 190093 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | ||
CHEMBL4797266 | 190093 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | ||
162674869 | 190093 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | ||
CHEMBL4797266 | 190093 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1114 | 16 | 14 | 11 | 0.9 | CC(=O)N[C@@H](CC1CCCCC1)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.0c01620 | ||
162665567 | 189128 | 0 | None | -4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4784635 | 189128 | 0 | None | -4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
162665567 | 189128 | 0 | None | -4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4784635 | 189128 | 0 | None | -4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1110 | 16 | 12 | 10 | 2.0 | 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](c3ccccc3)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
162672763 | 189903 | 0 | None | -6 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | ||
CHEMBL4794990 | 189903 | 0 | None | -6 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | ||
162672763 | 189903 | 0 | None | -6 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | ||
CHEMBL4794990 | 189903 | 0 | None | -6 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | ||
162667953 | 189316 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | 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/acs.jmedchem.0c01620 | ||
CHEMBL4787322 | 189316 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | 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/acs.jmedchem.0c01620 | ||
162667953 | 189316 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | 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/acs.jmedchem.0c01620 | ||
CHEMBL4787322 | 189316 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 1088 | 15 | 12 | 10 | 1.8 | 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/acs.jmedchem.0c01620 | ||
162675203 | 190040 | 0 | None | -10 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | 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](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4796506 | 190040 | 0 | None | -10 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | 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](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
162675203 | 190040 | 0 | None | -10 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | 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](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4796506 | 190040 | 0 | None | -10 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 1122 | 16 | 14 | 11 | 1.4 | 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](Cc2ccc(NC(=N)N)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
10855168 | 188685 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1050 | 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]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4779301 | 188685 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1050 | 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]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
10855168 | 188685 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1050 | 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]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4779301 | 188685 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1050 | 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]2C[C@@H](O)CN2C1=O | 10.1021/acs.jmedchem.0c01620 | ||
162673931 | 189837 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4794168 | 189837 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
162673931 | 189837 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
CHEMBL4794168 | 189837 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | ||
101176453 | 189741 | 0 | None | -660 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | 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.0c01620 | ||
CHEMBL4792986 | 189741 | 0 | None | -660 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | 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.0c01620 | ||
101176453 | 189741 | 0 | None | -660 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | 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.0c01620 | ||
CHEMBL4792986 | 189741 | 0 | None | -660 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | 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.0c01620 | ||
162643518 | 188490 | 0 | None | -102 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | ||
CHEMBL4776915 | 188490 | 0 | None | -102 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | ||
162643518 | 188490 | 0 | None | -102 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | ||
CHEMBL4776915 | 188490 | 0 | None | -102 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | ||
162675582 | 190239 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | ||
CHEMBL4799036 | 190239 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | ||
162675582 | 190239 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | ||
CHEMBL4799036 | 190239 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1108 | 16 | 14 | 11 | 0.2 | CC(=O)N[C@@H](Cc1ccccc1)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.0c01620 | ||
162672837 | 189800 | 0 | None | -17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | ||
CHEMBL4793821 | 189800 | 0 | None | -17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | ||
162672837 | 189800 | 0 | None | -17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | ||
CHEMBL4793821 | 189800 | 0 | None | -17 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | ||
162676295 | 190232 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | ||
CHEMBL4798971 | 190232 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | ||
162677133 | 190336 | 0 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | ||
CHEMBL4800268 | 190336 | 0 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | ||
162677133 | 190336 | 0 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | ||
CHEMBL4800268 | 190336 | 0 | None | -9 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | ||
162676295 | 190232 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | ||
CHEMBL4798971 | 190232 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | ||
162643092 | 188503 | 0 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | ||
CHEMBL4777048 | 188503 | 0 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | ||
162643092 | 188503 | 0 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | ||
CHEMBL4777048 | 188503 | 0 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | ||
162673650 | 189832 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | ||
CHEMBL4794121 | 189832 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | ||
162673650 | 189832 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | ||
CHEMBL4794121 | 189832 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | ||
1325 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
1325 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 10372 | 14 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
162664942 | 188972 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | ||
CHEMBL4782808 | 188972 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 1158 | 16 | 14 | 11 | 1.3 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)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.0c01620 | ||
CHEMBL253364 | 217288 | 0 | None | - | 0 | Human | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | ||||
CHEMBL2323796 | 216301 | 0 | None | - | 3 | Mouse | 9.9 | pKd | = | 9.9 | 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 | ||||
44445083 | 161084 | 0 | None | 2 | 3 | Human | 9.8 | pKd | = | 9.8 | 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 | 161084 | 0 | None | 2 | 3 | Human | 9.8 | pKd | = | 9.8 | 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 | ||
122184576 | 129206 | 0 | None | 1 | 4 | Human | 9.1 | pKd | = | 9.1 | 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 | 129206 | 0 | None | 1 | 4 | Human | 9.1 | pKd | = | 9.1 | 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 | ||
164619641 | 192505 | 0 | None | - | 0 | Mouse | 9.0 | pKd | = | 9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4865888 | 192505 | 0 | None | - | 0 | Mouse | 9.0 | pKd | = | 9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL266288 | 103738 | 0 | None | - | 1 | Mouse | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 5507 | 70 | 67 | 87 | -15.6 | CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CSSSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC1=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSSSSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N4)NC3=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 | 10.1021/jm0303608 | ||
164613340 | 191499 | 0 | None | - | 0 | Mouse | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4850510 | 191499 | 0 | None | - | 0 | Mouse | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
127035019 | 143214 | 0 | None | - | 1 | Mouse | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 143214 | 0 | None | - | 1 | Mouse | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL2096742 | 215985 | 0 | None | -3 | 6 | Human | 8.7 | pKd | = | 8.7 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm070461w | ||||
164612217 | 191624 | 0 | None | - | 1 | Mouse | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852297 | 191624 | 0 | None | - | 1 | Mouse | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
122184635 | 129212 | 0 | None | -2 | 4 | Human | 8.0 | pKd | = | 8 | 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 | 129212 | 0 | None | -2 | 4 | Human | 8.0 | pKd | = | 8 | 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 | ||
145951083 | 169755 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 1033 | 15 | 12 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
CHEMBL4175108 | 169755 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 1033 | 15 | 12 | 10 | -0.4 | C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
164620129 | 192526 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866219 | 192526 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613340 | 191499 | 0 | None | - | 0 | Mouse | 7.0 | pKd | = | 7 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4850510 | 191499 | 0 | None | - | 0 | Mouse | 7.0 | pKd | = | 7 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626062 | 193379 | 0 | None | - | 0 | Mouse | 7.0 | pKd | = | 7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4878799 | 193379 | 0 | None | - | 0 | Mouse | 7.0 | pKd | = | 7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
162645080 | 186229 | 0 | None | - | 1 | Mouse | 6.0 | pKd | = | 6 | 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 | 186229 | 0 | None | - | 1 | Mouse | 6.0 | pKd | = | 6 | 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 | ||
164619091 | 192965 | 0 | None | - | 1 | Mouse | 6.0 | pKd | = | 6 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872732 | 192965 | 0 | None | - | 1 | Mouse | 6.0 | pKd | = | 6 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625782 | 193260 | 0 | None | - | 0 | Mouse | 6.0 | pKd | = | 6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4876953 | 193260 | 0 | None | - | 0 | Mouse | 6.0 | pKd | = | 6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
145957551 | 169043 | 0 | None | - | 1 | Mouse | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1015 | 17 | 13 | 11 | -1.5 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4163787 | 169043 | 0 | None | - | 1 | Mouse | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1015 | 17 | 13 | 11 | -1.5 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
162649541 | 186834 | 0 | None | - | 0 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 963 | 12 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)CN(CCN)C(=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 | ||
CHEMBL4747778 | 186834 | 0 | None | - | 0 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 963 | 12 | 9 | 10 | -0.8 | C[C@@H]1NC(=O)CN(CCN)C(=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 | ||
162662360 | 188250 | 0 | None | - | 2 | Mouse | 6.9 | pKd | = | 6.9 | 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 | 188250 | 0 | None | - | 2 | Mouse | 6.9 | pKd | = | 6.9 | 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 | ||
164612091 | 191378 | 0 | None | - | 1 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848905 | 191378 | 0 | None | - | 1 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613676 | 192228 | 0 | None | - | 1 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4861645 | 192228 | 0 | None | - | 1 | Mouse | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
162676380 | 190145 | 0 | None | - | 0 | Mouse | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4797774 | 190145 | 0 | None | - | 0 | Mouse | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -1.2 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCNC(=N)N)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acsmedchemlett.9b00641 | ||
137659851 | 166216 | 0 | None | - | 0 | Mouse | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 949 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CO)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.7b00856 | ||
CHEMBL4101128 | 166216 | 0 | None | - | 0 | Mouse | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 949 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)[C@H](CO)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.7b00856 | ||
155548853 | 180588 | 0 | None | -1380 | 5 | Mouse | 5.9 | pKd | = | 5.9 | 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 | 180588 | 0 | None | -1380 | 5 | Mouse | 5.9 | pKd | = | 5.9 | 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 | ||
164619641 | 192505 | 0 | None | - | 0 | Mouse | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4865888 | 192505 | 0 | None | - | 0 | Mouse | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164618743 | 192369 | 0 | None | - | 1 | Mouse | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863637 | 192369 | 0 | None | - | 1 | Mouse | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
145950765 | 169612 | 0 | None | - | 1 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 964 | 12 | 11 | 11 | -2.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4172753 | 169612 | 0 | None | - | 1 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 964 | 12 | 11 | 11 | -2.2 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
164624484 | 192365 | 0 | None | - | 0 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863587 | 192365 | 0 | None | - | 0 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164620129 | 192526 | 0 | None | - | 0 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866219 | 192526 | 0 | None | - | 0 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL2373991 | 217160 | 0 | None | -14 | 3 | Mouse | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(=O)O)NC1=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm049620r | ||||
162667883 | 189193 | 0 | None | - | 1 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
CHEMBL4785711 | 189193 | 0 | None | - | 1 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 976 | 12 | 9 | 10 | -0.9 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
137632948 | 163361 | 0 | None | - | 2 | Mouse | 5.8 | pKd | = | 5.8 | 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 | 163361 | 0 | None | - | 2 | Mouse | 5.8 | pKd | = | 5.8 | 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 | ||
155532232 | 178484 | 0 | None | - | 2 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 992 | 12 | 11 | 11 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
CHEMBL4466724 | 178484 | 0 | None | - | 2 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 992 | 12 | 11 | 11 | -1.5 | C[C@@H]1NC(=O)[C@H](CC(N)=O)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 | ||
164608927 | 191236 | 0 | None | - | 0 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4846677 | 191236 | 0 | None | - | 0 | Mouse | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164622957 | 192893 | 0 | None | - | 1 | Mouse | 5.8 | pKd | = | 5.8 | 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 | 192893 | 0 | None | - | 1 | Mouse | 5.8 | pKd | = | 5.8 | 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 | ||
CHEMBL501679 | 220922 | 0 | None | - | 3 | Mouse | 6.8 | pKd | = | 6.8 | 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 | ||||
145949639 | 169536 | 0 | None | - | 0 | Mouse | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 1049 | 16 | 13 | 11 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)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)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4171666 | 169536 | 0 | None | - | 0 | Mouse | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 1049 | 16 | 13 | 11 | -1.5 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)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)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
164625246 | 192812 | 0 | None | - | 0 | Mouse | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4870667 | 192812 | 0 | None | - | 0 | Mouse | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137654791 | 165697 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 1053 | 14 | 10 | 10 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL4095539 | 165697 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 1053 | 14 | 10 | 10 | 0.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL264190 | 217387 | 1 | None | -35 | 8 | Mouse | 6.7 | pKd | = | 6.7 | 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 | ||||
CHEMBL454736 | 220776 | 0 | None | - | 2 | Mouse | 6.7 | pKd | = | 6.7 | 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 | ||||
145956526 | 168971 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 929 | 13 | 10 | 10 | -0.8 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4162603 | 168971 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 929 | 13 | 10 | 10 | -0.8 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
145960041 | 169065 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 945 | 14 | 11 | 11 | -1.8 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4164111 | 169065 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 945 | 14 | 11 | 11 | -1.8 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
137638391 | 163637 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | 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.7b00856 | ||
CHEMBL4071633 | 163637 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | 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.7b00856 | ||
164608927 | 191236 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4846677 | 191236 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613114 | 192032 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4858442 | 192032 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164623350 | 192678 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4868611 | 192678 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164628715 | 193276 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4877266 | 193276 | 0 | None | - | 0 | Mouse | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137642804 | 165150 | 0 | None | - | 1 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4089759 | 165150 | 0 | None | - | 1 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 832 | 18 | 8 | 6 | 2.2 | 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](Cc1ccccc1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
137631920 | 163215 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 976 | 12 | 9 | 9 | 0.9 | CC(C)C[C@@H]1NC(=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)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL4066929 | 163215 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 976 | 12 | 9 | 9 | 0.9 | CC(C)C[C@@H]1NC(=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)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
137632506 | 163303 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 1049 | 12 | 10 | 9 | 1.6 | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)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.7b00856 | ||
CHEMBL4067947 | 163303 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 1049 | 12 | 10 | 9 | 1.6 | C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)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.7b00856 | ||
164616496 | 192171 | 0 | None | - | 1 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860703 | 192171 | 0 | None | - | 1 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164623596 | 192253 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4862028 | 192253 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626062 | 193379 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4878799 | 193379 | 0 | None | - | 0 | Mouse | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL2370695 | 216691 | 0 | None | - | 2 | Mouse | 5.7 | pKd | = | 5.7 | 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](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0303608 | ||||
164613361 | 191556 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4851302 | 191556 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164610096 | 191640 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852476 | 191640 | 0 | None | - | 1 | Mouse | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL2323794 | 216299 | 0 | None | - | 3 | Mouse | 7.6 | pKd | = | 7.6 | 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](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 | ||||
164620572 | 192550 | 0 | None | - | 0 | Mouse | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866496 | 192550 | 0 | None | - | 0 | Mouse | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625782 | 193260 | 0 | None | - | 0 | Mouse | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4876953 | 193260 | 0 | None | - | 0 | Mouse | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
145959370 | 168786 | 0 | None | - | 1 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 959 | 14 | 11 | 11 | -2.3 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4159541 | 168786 | 0 | None | - | 1 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 959 | 14 | 11 | 11 | -2.3 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
164613712 | 192128 | 0 | None | - | 1 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
CHEMBL4860080 | 192128 | 0 | None | - | 1 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
164623596 | 192253 | 0 | None | - | 0 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4862028 | 192253 | 0 | None | - | 0 | Mouse | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
10101361 | 162482 | 0 | None | - | 4 | Mouse | 5.6 | pKd | = | 5.6 | Functional | 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 | 162482 | 0 | None | - | 4 | Mouse | 5.6 | pKd | = | 5.6 | Functional | 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 | ||
162647356 | 186459 | 0 | None | - | 0 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -1.2 | CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CN)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4743564 | 186459 | 0 | None | - | 0 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -1.2 | CN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CN)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
137633477 | 163374 | 0 | None | - | 1 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4068777 | 163374 | 0 | None | - | 1 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
137646614 | 164317 | 0 | None | - | 2 | Mouse | 5.6 | pKd | = | 5.6 | 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 | 164317 | 0 | None | - | 2 | Mouse | 5.6 | pKd | = | 5.6 | 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 | ||
137646086 | 164673 | 0 | None | - | 1 | Mouse | 5.6 | pKd | = | 5.6 | 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 | 164673 | 0 | None | - | 1 | Mouse | 5.6 | pKd | = | 5.6 | 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 | ||
164615544 | 191443 | 0 | None | - | 0 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4849756 | 191443 | 0 | None | - | 0 | Mouse | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL502093 | 220928 | 0 | None | - | 3 | Mouse | 7.5 | pKd | = | 7.5 | 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 | ||||
CHEMBL103817 | 215238 | 0 | None | -100 | 4 | Mouse | 6.5 | pKd | = | 6.5 | 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 | ||||
122184633 | 129210 | 0 | None | -1 | 4 | Human | 8.5 | pKd | = | 8.5 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
CHEMBL3600914 | 129210 | 0 | None | -1 | 4 | Human | 8.5 | pKd | = | 8.5 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | ||
164610510 | 191374 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848870 | 191374 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164612091 | 191378 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848905 | 191378 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613261 | 191382 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848948 | 191382 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
127035019 | 143214 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 143214 | 0 | None | - | 1 | Mouse | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL413573 | 219854 | 0 | None | 1 | 4 | Human | 8.4 | pKd | = | 8.4 | 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 | ||||
132938008 | 166292 | 0 | None | -1659 | 5 | Mouse | 6.5 | pKd | = | 6.5 | 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/acs.jmedchem.7b00856 | ||
CHEMBL4102048 | 166292 | 0 | None | -1659 | 5 | Mouse | 6.5 | pKd | = | 6.5 | 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/acs.jmedchem.7b00856 | ||
145952946 | 169264 | 0 | None | - | 0 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 999 | 16 | 12 | 10 | -0.5 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4167239 | 169264 | 0 | None | - | 0 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 999 | 16 | 12 | 10 | -0.5 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
145954663 | 169436 | 0 | None | - | 0 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 985 | 15 | 12 | 10 | -0.9 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4169872 | 169436 | 0 | None | - | 0 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 985 | 15 | 12 | 10 | -0.9 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
164613261 | 191382 | 0 | None | - | 1 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848948 | 191382 | 0 | None | - | 1 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
132938008 | 166292 | 0 | None | -1659 | 5 | Mouse | 6.5 | pKd | = | 6.5 | 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 | 166292 | 0 | None | -1659 | 5 | Mouse | 6.5 | pKd | = | 6.5 | 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 | ||
145958585 | 169118 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 931 | 13 | 11 | 11 | -2.2 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4164846 | 169118 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 931 | 13 | 11 | 11 | -2.2 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
145973163 | 169863 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1007 | 14 | 11 | 11 | -1.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4176668 | 169863 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1007 | 14 | 11 | 11 | -1.9 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
155561116 | 181752 | 0 | None | -208 | 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 | 181752 | 0 | None | -208 | 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 | ||
137633477 | 163374 | 0 | None | - | 1 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4068777 | 163374 | 0 | None | - | 1 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
162653604 | 187274 | 0 | None | - | 0 | Mouse | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | 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)CN(Cc2ccccc2)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
CHEMBL4753150 | 187274 | 0 | None | - | 0 | Mouse | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 948 | 11 | 9 | 10 | -0.8 | 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)CN(Cc2ccccc2)C1=O | 10.1021/acsmedchemlett.9b00641 | ||
164625246 | 192812 | 0 | None | - | 0 | Mouse | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4870667 | 192812 | 0 | None | - | 0 | Mouse | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137656661 | 166504 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1000 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)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.7b00856 | ||
CHEMBL4104582 | 166504 | 0 | None | - | 0 | Mouse | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 1000 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)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.7b00856 | ||
CHEMBL501394 | 220916 | 0 | None | - | 3 | Mouse | 7.4 | pKd | = | 7.4 | 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 | ||||
CHEMBL322610 | 218013 | 0 | None | - | 4 | Mouse | 7.4 | pKd | = | 7.4 | 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 | ||||
164610510 | 191374 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848870 | 191374 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164612217 | 191624 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852297 | 191624 | 0 | None | - | 1 | Mouse | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137639030 | 163724 | 0 | None | - | 0 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 963 | 11 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H]([C@@H](C)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.7b00856 | ||
CHEMBL4072662 | 163724 | 0 | None | - | 0 | Mouse | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 963 | 11 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H]([C@@H](C)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.7b00856 | ||
137659513 | 166029 | 0 | None | - | 1 | Mouse | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
CHEMBL4099096 | 166029 | 0 | None | - | 1 | Mouse | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.7b00301 | ||
155546131 | 180309 | 0 | None | -15 | 5 | Mouse | 5.4 | pKd | = | 5.4 | Functional | 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 | 180309 | 0 | None | -15 | 5 | Mouse | 5.4 | pKd | = | 5.4 | Functional | 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 | ||
44445085 | 103849 | 0 | None | 1 | 4 | Human | 8.3 | pKd | = | 8.3 | 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 | 103849 | 0 | None | 1 | 4 | Human | 8.3 | pKd | = | 8.3 | 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 | ||
164617040 | 192088 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4859395 | 192088 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613676 | 192228 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4861645 | 192228 | 0 | None | - | 1 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164624484 | 192365 | 0 | None | - | 0 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863587 | 192365 | 0 | None | - | 0 | Mouse | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL266417 | 217462 | 0 | None | -83 | 6 | Human | 8.3 | pKd | = | 8.3 | 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)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 | ||||
CHEMBL428801 | 220251 | 0 | None | -26 | 5 | Human | 8.3 | pKd | = | 8.3 | 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)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 | ||||
CHEMBL3577981 | 218528 | 1 | None | -245 | 5 | Mouse | 6.3 | pKd | = | 6.3 | 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 | ||||
145952883 | 169194 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 973 | 15 | 11 | 11 | -1.9 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4166050 | 169194 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 973 | 15 | 11 | 11 | -1.9 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL3577981 | 218528 | 1 | None | -245 | 5 | Mouse | 6.3 | pKd | = | 6.3 | 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.7b00856 | ||||
164613712 | 192128 | 0 | None | - | 1 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
CHEMBL4860080 | 192128 | 0 | None | - | 1 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
164616496 | 192171 | 0 | None | - | 1 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860703 | 192171 | 0 | None | - | 1 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164619441 | 192925 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 854 | 18 | 6 | 6 | 4.2 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872238 | 192925 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 854 | 18 | 6 | 6 | 4.2 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137657385 | 166545 | 0 | None | - | 1 | Mouse | 5.3 | pKd | = | 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 | 166545 | 0 | None | - | 1 | Mouse | 5.3 | pKd | = | 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 | ||
CHEMBL322610 | 218013 | 0 | None | - | 4 | Mouse | 7.3 | pKd | = | 7.3 | 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 | ||||
CHEMBL3600912 | 218600 | 0 | None | -2 | 4 | Human | 8.2 | pKd | = | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | ||||
164619091 | 192965 | 0 | None | - | 1 | Mouse | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872732 | 192965 | 0 | None | - | 1 | Mouse | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
145951686 | 169735 | 0 | None | - | 0 | Mouse | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 979 | 13 | 11 | 11 | -1.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4174761 | 169735 | 0 | None | - | 0 | Mouse | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 979 | 13 | 11 | 11 | -1.8 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
164610096 | 191640 | 0 | None | - | 1 | Mouse | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852476 | 191640 | 0 | None | - | 1 | Mouse | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
145951904 | 169718 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 957 | 14 | 10 | 10 | -0.9 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4174361 | 169718 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 957 | 14 | 10 | 10 | -0.9 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
137649684 | 163917 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 992 | 13 | 11 | 11 | -2.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL4075125 | 163917 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 992 | 13 | 11 | 11 | -2.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
164618743 | 192369 | 0 | None | - | 1 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863637 | 192369 | 0 | None | - | 1 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164620572 | 192550 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866496 | 192550 | 0 | None | - | 0 | Mouse | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
127047624 | 146674 | 0 | None | -123 | 3 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
CHEMBL3799408 | 146674 | 0 | None | -123 | 3 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | ||
162650385 | 186850 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | 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 | 186850 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | 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 | ||
145957356 | 168767 | 0 | None | - | 0 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1035 | 15 | 13 | 11 | -1.9 | N=C(N)NCCC[C@@H]1NC(=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)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4159229 | 168767 | 0 | None | - | 0 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1035 | 15 | 13 | 11 | -1.9 | N=C(N)NCCC[C@@H]1NC(=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)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.8b00684 | ||
145953129 | 169219 | 0 | None | - | 0 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1001 | 16 | 13 | 11 | -1.9 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4166449 | 169219 | 0 | None | - | 0 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1001 | 16 | 13 | 11 | -1.9 | CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
145954673 | 169450 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 915 | 12 | 10 | 10 | -1.2 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
CHEMBL4170160 | 169450 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 915 | 12 | 10 | 10 | -1.2 | CCCC[C@@H]1NC(=O)[C@H](C)NC(=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]2CCCN2C1=O | 10.1021/acs.jmedchem.8b00684 | ||
145951839 | 169654 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
CHEMBL4173301 | 169654 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](CCc2ccccc2)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.8b00684 | ||
164613361 | 191556 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4851302 | 191556 | 0 | None | - | 1 | Mouse | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137632217 | 163081 | 0 | None | - | 0 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 900 | 10 | 10 | 10 | -2.4 | 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](C)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
CHEMBL4065443 | 163081 | 0 | None | - | 0 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 900 | 10 | 10 | 10 | -2.4 | 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](C)NC1=O | 10.1021/acs.jmedchem.7b00856 | ||
137633477 | 163374 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4068777 | 163374 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
155544852 | 181718 | 0 | None | -1230 | 5 | Mouse | 6.1 | pKd | = | 6.1 | 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 | 181718 | 0 | None | -1230 | 5 | Mouse | 6.1 | pKd | = | 6.1 | 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 | ||
164613114 | 192032 | 0 | None | - | 0 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4858442 | 192032 | 0 | None | - | 0 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164617040 | 192088 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4859395 | 192088 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
44310103 | 173426 | 0 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 4237 | 51 | 50 | 66 | -10.2 | 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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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 | ||
77231882 | 173426 | 0 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 4237 | 51 | 50 | 66 | -10.2 | 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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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 | ||
CHEMBL428134 | 173426 | 0 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 4237 | 51 | 50 | 66 | -10.2 | 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](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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 | ||
127047336 | 146576 | 0 | None | -33 | 4 | Mouse | 6.1 | pKd | = | 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 | 146576 | 0 | None | -33 | 4 | Mouse | 6.1 | pKd | = | 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 | ||
127046262 | 146598 | 0 | None | -45 | 3 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
CHEMBL3798912 | 146598 | 0 | None | -45 | 3 | Mouse | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | ||
CHEMBL103817 | 215238 | 0 | None | -100 | 4 | Mouse | 6.0 | pKd | = | 6.0 | 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/acs.jmedchem.5b01894 | ||||
164619641 | 192505 | 0 | None | - | 0 | Mouse | 9.0 | pKi | = | 9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4865888 | 192505 | 0 | None | - | 0 | Mouse | 9.0 | pKi | = | 9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613340 | 191499 | 0 | None | - | 0 | Mouse | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4850510 | 191499 | 0 | None | - | 0 | Mouse | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
127035019 | 143214 | 0 | None | - | 1 | Mouse | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 143214 | 0 | None | - | 1 | Mouse | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
164620129 | 192526 | 0 | None | - | 0 | Mouse | 8.0 | pKi | = | 8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866219 | 192526 | 0 | None | - | 0 | Mouse | 8.0 | pKi | = | 8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613340 | 191499 | 0 | None | - | 0 | Mouse | 7.0 | pKi | = | 7 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4850510 | 191499 | 0 | None | - | 0 | Mouse | 7.0 | pKi | = | 7 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626062 | 193379 | 0 | None | - | 0 | Mouse | 7.0 | pKi | = | 7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4878799 | 193379 | 0 | None | - | 0 | Mouse | 7.0 | pKi | = | 7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164619091 | 192965 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872732 | 192965 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625782 | 193260 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4876953 | 193260 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164612091 | 191378 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848905 | 191378 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613676 | 192228 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4861645 | 192228 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164619641 | 192505 | 0 | None | - | 0 | Mouse | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4865888 | 192505 | 0 | None | - | 0 | Mouse | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164618743 | 192369 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863637 | 192369 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164624484 | 192365 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863587 | 192365 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164620129 | 192526 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866219 | 192526 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164608927 | 191236 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4846677 | 191236 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164622957 | 192893 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | 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 | 192893 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | 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 | ||
164612217 | 191624 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852297 | 191624 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613361 | 191556 | 0 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4851302 | 191556 | 0 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164610096 | 191640 | 0 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852476 | 191640 | 0 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625246 | 192812 | 0 | None | - | 0 | Mouse | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4870667 | 192812 | 0 | None | - | 0 | Mouse | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164608927 | 191236 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4846677 | 191236 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 767 | 18 | 7 | 6 | 4.1 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613114 | 192032 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4858442 | 192032 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164623350 | 192678 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4868611 | 192678 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164628715 | 193276 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4877266 | 193276 | 0 | None | - | 0 | Mouse | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164616496 | 192171 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860703 | 192171 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164623596 | 192253 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4862028 | 192253 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164626062 | 193379 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4878799 | 193379 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 795 | 18 | 9 | 6 | 3.2 | CC(=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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164620572 | 192550 | 0 | None | - | 0 | Mouse | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866496 | 192550 | 0 | None | - | 0 | Mouse | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625782 | 193260 | 0 | None | - | 0 | Mouse | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4876953 | 193260 | 0 | None | - | 0 | Mouse | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613712 | 192128 | 0 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
CHEMBL4860080 | 192128 | 0 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
164623596 | 192253 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4862028 | 192253 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 843 | 18 | 7 | 6 | 3.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
10101361 | 162482 | 0 | None | - | 4 | Mouse | 5.6 | pKi | = | 5.6 | Functional | 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 | 162482 | 0 | None | - | 4 | Mouse | 5.6 | pKi | = | 5.6 | Functional | 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 | ||
164615544 | 191443 | 0 | None | - | 0 | Mouse | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4849756 | 191443 | 0 | None | - | 0 | Mouse | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 871 | 18 | 9 | 6 | 2.7 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL322610 | 218013 | 0 | None | - | 4 | Mouse | 6.6 | pKi | = | 6.6 | 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 | 220916 | 0 | None | - | 3 | Mouse | 6.6 | pKi | = | 6.6 | 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 | ||||
164610510 | 191374 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848870 | 191374 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164612091 | 191378 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848905 | 191378 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613261 | 191382 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848948 | 191382 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
127035019 | 143214 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
CHEMBL3735607 | 143214 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 1074 | 17 | 14 | 11 | 0.1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1016/j.bmcl.2015.10.095 | ||
164613261 | 191382 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848948 | 191382 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 889 | 20 | 9 | 7 | 0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137633477 | 163374 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4068777 | 163374 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164625246 | 192812 | 0 | None | - | 0 | Mouse | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4870667 | 192812 | 0 | None | - | 0 | Mouse | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 726 | 20 | 10 | 7 | 0.9 | CC(=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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL502093 | 220928 | 0 | None | - | 3 | Mouse | 6.5 | pKi | = | 6.5 | 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 | ||||
164610510 | 191374 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4848870 | 191374 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 917 | 20 | 11 | 7 | -0.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164612217 | 191624 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852297 | 191624 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 830 | 20 | 12 | 7 | -0.5 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164617040 | 192088 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4859395 | 192088 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613676 | 192228 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4861645 | 192228 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164624484 | 192365 | 0 | None | - | 0 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863587 | 192365 | 0 | None | - | 0 | Mouse | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 754 | 20 | 12 | 7 | 0.1 | CC(=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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613712 | 192128 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
CHEMBL4860080 | 192128 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 958 | 18 | 8 | 6 | 2.8 | CC(=O)N[C@H](Cc1ccc(I)cc1)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.1c01417 | ||
164616496 | 192171 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4860703 | 192171 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 806 | 18 | 8 | 6 | 3.9 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164619441 | 192925 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 854 | 18 | 6 | 6 | 4.2 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872238 | 192925 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 854 | 18 | 6 | 6 | 4.2 | 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](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL454736 | 220776 | 0 | None | - | 2 | Mouse | 5.3 | pKi | = | 5.3 | 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 | ||||
164619091 | 192965 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4872732 | 192965 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL501679 | 220922 | 0 | None | - | 3 | Mouse | 5.2 | pKi | = | 5.2 | 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 | ||||
164610096 | 191640 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4852476 | 191640 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 813 | 20 | 9 | 7 | 1.1 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164618743 | 192369 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4863637 | 192369 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 737 | 20 | 9 | 7 | 1.6 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164620572 | 192550 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4866496 | 192550 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 802 | 20 | 10 | 7 | 0.4 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613361 | 191556 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4851302 | 191556 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 841 | 20 | 11 | 7 | 0.2 | 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](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
137633477 | 163374 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4068777 | 163374 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164613114 | 192032 | 0 | None | - | 0 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4858442 | 192032 | 0 | None | - | 0 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 882 | 18 | 8 | 6 | 3.3 | CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
164617040 | 192088 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
CHEMBL4859395 | 192088 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 765 | 20 | 11 | 7 | 0.7 | CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.1c01417 | ||
131839615 | 219415 | 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 | 219415 | 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 | 219415 | 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 | ||||
10408 | 7507 | 28 | None | -5 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 7507 | 28 | None | -5 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 7507 | 28 | None | -5 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 7507 | 28 | None | -5 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 7507 | 28 | None | -5 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||||
6546 | 9849 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 17482720 | ||||
1334 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
16133814 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
CHEMBL437050 | 8283 | 7 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
1341 | 9850 | 0 | None | -6 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 12431055 | ||||
1329 | 7102 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | None | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 9454589 | ||||
1335 | 7103 | 0 | None | -39 | 3 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 9819197 |
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 |
1971 | 9641 | 38 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2404 | 9641 | 38 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
4543 | 9641 | 38 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL445 | 9641 | 38 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00540 | 9641 | 38 | None | - | 30 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
216416 | 118358 | 48 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL328190 | 118358 | 48 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
71496458 | 122342 | 87 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL3353410 | 122342 | 87 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
135409453 | 10545 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
226 | 10545 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
CHEMBL76370 | 10545 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
214 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2740 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
5566 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
66064 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL422 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00831 | 10632 | 58 | None | - | 30 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
2435 | 10362 | 83 | None | - | 48 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
60149 | 10362 | 83 | None | - | 48 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
98 | 10362 | 83 | None | - | 48 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL12713 | 10362 | 83 | None | - | 48 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
DB06144 | 10362 | 83 | None | - | 48 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
25181577 | 84994 | 56 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2105695 | 84994 | 56 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
4046 | 9261 | 33 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 9261 | 33 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 9261 | 33 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
176 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2157 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2566 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL633 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01118 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
2351 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1008 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1257078 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
1046 | 209431 | 116 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL614 | 209431 | 116 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 123 | 1 | 1 | 3 | -0.4 | NC(=O)c1cnccn1 | 10.1038/s41467-023-40064-9 | |||
156419 | 7725 | 74 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3308 | 7725 | 74 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
647 | 7725 | 74 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201284 | 7725 | 74 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB01012 | 7725 | 74 | None | - | 1 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
4212 | 205458 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1417019 | 205458 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL58 | 205458 | 82 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | |||
41684 | 37995 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1401 | 37995 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
154257 | 185398 | 67 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL46740 | 185398 | 67 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
104850 | 10103 | 96 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
4150 | 10103 | 96 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
743 | 10103 | 96 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL111 | 10103 | 96 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
DB06155 | 10103 | 96 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
24826799 | 17570 | 104 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1171837 | 17570 | 104 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
2162 | 48288 | 100 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL1491 | 48288 | 100 | None | - | 6 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
3926 | 214020 | 40 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL92870 | 214020 | 40 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
4046 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4046 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 9261 | 33 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
42890 | 16197 | 59 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1117 | 16197 | 59 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | |||
11980903 | 21264 | 19 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
22526 | 21264 | 19 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5281035 | 21264 | 19 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1201303 | 21264 | 19 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5440 | 35497 | 37 | None | - | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1378 | 35497 | 37 | None | - | 9 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
2194 | 69857 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL178862 | 69857 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
5328940 | 106992 | 107 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL288441 | 106992 | 107 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
1212 | 8443 | 50 | None | - | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
204 | 8443 | 50 | None | - | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3372 | 8443 | 50 | None | - | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL726 | 8443 | 50 | None | - | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00623 | 8443 | 50 | None | - | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3380 | 29562 | 34 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 313 | 2 | 0 | 4 | 2.5 | CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL13280 | 29562 | 34 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 313 | 2 | 0 | 4 | 2.5 | CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 | 10.1038/s41467-023-40064-9 | |||
1427 | 8794 | 54 | None | - | 27 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
357 | 8794 | 54 | None | - | 27 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
3696 | 8794 | 54 | None | - | 27 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL11 | 8794 | 54 | None | - | 27 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00458 | 8794 | 54 | None | - | 27 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
4046 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4252 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL416956 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
DB00358 | 9261 | 33 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | |||
4011 | 89183 | 49 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | |||
CHEMBL21731 | 89183 | 49 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 10.1038/s41467-023-40064-9 | |||
2726 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
621 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
83 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL71 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB00477 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2519 | 7566 | 86 | None | - | 12 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
407 | 7566 | 86 | None | - | 12 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
463 | 7566 | 86 | None | - | 12 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
CHEMBL113 | 7566 | 86 | None | - | 12 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
DB00201 | 7566 | 86 | None | - | 12 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1038/s41467-023-40064-9 | |||
11626560 | 207716 | 94 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL601719 | 207716 | 94 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
11976 | 7707 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
667467 | 7707 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL908 | 7707 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
DB01239 | 7707 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
1056 | 10144 | 116 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
2405 | 10144 | 116 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
77999 | 10144 | 116 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL121 | 10144 | 116 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
DB00412 | 10144 | 116 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
2200 | 26975 | 61 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1256819 | 26975 | 61 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1305 | 26975 | 61 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 265 | 5 | 1 | 3 | 2.7 | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
25382 | 15929 | 37 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL110094 | 15929 | 37 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
51755 | 64180 | 54 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1651990 | 64180 | 54 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
4236 | 34869 | 66 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1373 | 34869 | 66 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 273 | 5 | 1 | 2 | 2.0 | NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
103 | 10925 | 61 | None | - | 53 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2875 | 10925 | 61 | None | - | 53 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
5736 | 10925 | 61 | None | - | 53 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL285802 | 10925 | 61 | None | - | 53 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB09225 | 10925 | 61 | None | - | 53 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
202 | 8290 | 77 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
60835 | 8290 | 77 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
972 | 8290 | 77 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1175 | 8290 | 77 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00476 | 8290 | 77 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
180 | 7189 | 56 | None | - | 40 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
200 | 7189 | 56 | None | - | 40 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
2160 | 7189 | 56 | None | - | 40 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL629 | 7189 | 56 | None | - | 40 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
DB00321 | 7189 | 56 | None | - | 40 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
124087 | 8171 | 114 | None | - | 15 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
7157 | 8171 | 114 | None | - | 15 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
814 | 8171 | 114 | None | - | 15 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1172 | 8171 | 114 | None | - | 15 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
DB00967 | 8171 | 114 | None | - | 15 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | |||
3676 | 212049 | 101 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL79 | 212049 | 101 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | 10.1038/s41467-023-40064-9 | |||
216239 | 30567 | 118 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200485 | 30567 | 118 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1336 | 30567 | 118 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
2247 | 7293 | 81 | None | -147 | 42 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
249 | 7293 | 81 | None | -147 | 42 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
2603 | 7293 | 81 | None | -147 | 42 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL296419 | 7293 | 81 | None | -147 | 42 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00637 | 7293 | 81 | None | -147 | 42 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
26987 | 7736 | 33 | None | - | 21 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
6063 | 7736 | 33 | None | - | 21 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
671 | 7736 | 33 | None | - | 21 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1626 | 7736 | 33 | None | - | 21 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
DB00283 | 7736 | 33 | None | - | 21 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL4743867 | 220812 | 14 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | |||||
3149 | 19386 | 15 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1187011 | 19386 | 15 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
1353 | 8692 | 93 | None | - | 85 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
3559 | 8692 | 93 | None | - | 85 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
86 | 8692 | 93 | None | - | 85 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
CHEMBL54 | 8692 | 93 | None | - | 85 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
DB00502 | 8692 | 93 | None | - | 85 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
4150 | 7575 | 39 | None | - | 12 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5288 | 7575 | 39 | None | - | 12 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
644019 | 7575 | 39 | None | - | 12 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL190461 | 7575 | 39 | None | - | 12 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
DB09061 | 7575 | 39 | None | - | 12 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
5284550 | 48495 | 15 | None | - | 9 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1492500 | 48495 | 15 | None | - | 9 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
10184665 | 10763 | 51 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
4799 | 10763 | 51 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
7353 | 10763 | 51 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1198857 | 10763 | 51 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
DB09082 | 10763 | 51 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
123631 | 214179 | 129 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL939 | 214179 | 129 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 446 | 8 | 1 | 7 | 4.3 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | 10.1038/s41467-023-40064-9 | |||
135398737 | 7745 | 93 | None | - | 90 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
38 | 7745 | 93 | None | - | 90 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
722 | 7745 | 93 | None | - | 90 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL42 | 7745 | 93 | None | - | 90 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB00363 | 7745 | 93 | None | - | 90 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
5282175 | 21204 | 36 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
CHEMBL1200661 | 21204 | 36 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O | 10.1038/s41467-023-40064-9 | |||
11511120 | 85169 | 86 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2110732 | 85169 | 86 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 7 | 2 | 6 | 5.2 | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
3191 | 109635 | 97 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL305660 | 109635 | 97 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
25077405 | 9492 | 0 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
3902 | 9492 | 0 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
CHEMBL1201309 | 9492 | 0 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
DB00666 | 9492 | 0 | None | - | 1 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
2398 | 7741 | 62 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
2801 | 7741 | 62 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
701 | 7741 | 62 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL415 | 7741 | 62 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
DB01242 | 7741 | 62 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
10184653 | 17769 | 107 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1173655 | 17769 | 107 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 485 | 8 | 2 | 7 | 4.4 | CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | 10.1038/s41467-023-40064-9 | |||
2585 | 7590 | 103 | None | - | 22 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
522 | 7590 | 103 | None | - | 22 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
551 | 7590 | 103 | None | - | 22 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL723 | 7590 | 103 | None | - | 22 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
DB01136 | 7590 | 103 | None | - | 22 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
30323 | 69259 | 57 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1563 | 69259 | 57 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL178 | 69259 | 57 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
2286 | 9957 | 51 | None | - | 30 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
4927 | 9957 | 51 | None | - | 30 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
7282 | 9957 | 51 | None | - | 30 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
CHEMBL643 | 9957 | 51 | None | - | 30 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
DB01069 | 9957 | 51 | None | - | 30 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | |||
6436173 | 61890 | 45 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL1617 | 61890 | 45 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
2713 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5353524 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
5360566 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
88536661 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
9552079 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1330113 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL790 | 212050 | 82 | None | - | 0 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
72093 | 41835 | 9 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1433361 | 41835 | 9 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL2103773 | 41835 | 9 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL3039583 | 217728 | 0 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | |||||
2600 | 10551 | 74 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
2608 | 10551 | 74 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
5405 | 10551 | 74 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL17157 | 10551 | 74 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
DB00342 | 10551 | 74 | None | - | 13 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
1209 | 8439 | 75 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
203 | 8439 | 75 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
3386 | 8439 | 75 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
CHEMBL41 | 8439 | 75 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
DB00472 | 8439 | 75 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
1222 | 8445 | 49 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
3396 | 8445 | 49 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
85 | 8445 | 49 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL46516 | 8445 | 49 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB04842 | 8445 | 49 | None | - | 32 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2335 | 18620 | 22 | None | - | 12 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
8478 | 18620 | 22 | None | - | 12 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1182210 | 18620 | 22 | None | - | 12 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL221753 | 18620 | 22 | None | - | 12 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
5329102 | 201505 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL535 | 201505 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
68617 | 212306 | 62 | None | - | 26 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1709 | 212306 | 62 | None | - | 26 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
CHEMBL809 | 212306 | 62 | None | - | 26 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
1016 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2561 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
2733526 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
5384 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL83 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
DB00675 | 10519 | 78 | None | -56 | 35 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
4746 | 211670 | 31 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1334033 | 211670 | 31 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL75880 | 211670 | 31 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
118422671 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
1887 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
71301 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
7246 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL434394 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
DB04861 | 9533 | 65 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
16362 | 9899 | 71 | None | - | 29 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
2172 | 9899 | 71 | None | - | 29 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
90 | 9899 | 71 | None | - | 29 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL1423 | 9899 | 71 | None | - | 29 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
DB01100 | 9899 | 71 | None | - | 29 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
100 | 10577 | 58 | None | - | 54 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2637 | 10577 | 58 | None | - | 54 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
5452 | 10577 | 58 | None | - | 54 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
CHEMBL479 | 10577 | 58 | None | - | 54 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
DB00679 | 10577 | 58 | None | - | 54 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
2274 | 9947 | 58 | None | - | 31 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
4917 | 9947 | 58 | None | - | 31 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
7279 | 9947 | 58 | None | - | 31 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
CHEMBL728 | 9947 | 58 | None | - | 31 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
DB00433 | 9947 | 58 | None | - | 31 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
1155 | 8410 | 53 | None | - | 5 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
3343 | 8410 | 53 | None | - | 5 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
557 | 8410 | 53 | None | - | 5 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
CHEMBL32800 | 8410 | 53 | None | - | 5 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
DB01288 | 8410 | 53 | None | - | 5 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1038/s41467-023-40064-9 | |||
1324 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
1324 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
1324 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | |||||
1323 | 9465 | 55 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
92432 | 9465 | 55 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
CHEMBL430239 | 9465 | 55 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
1323 | 9465 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
92432 | 9465 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
CHEMBL430239 | 9465 | 55 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | |||||
44327392 | 148641 | 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 | 148641 | 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 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | |||||
1323 | 9465 | 55 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
92432 | 9465 | 55 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL430239 | 9465 | 55 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
16132144 | 216058 | 36 | None | - | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | 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 | |||||
16132144 | 216058 | 36 | None | -30 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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/jm0303103 | |||||
16133793 | 216058 | 36 | None | -30 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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/jm0303103 | |||||
44273719 | 216058 | 36 | None | -30 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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/jm0303103 | |||||
CHEMBL214332 | 216058 | 36 | None | -30 | 4 | Human | 9.2 | pEC50 | = | 9.2 | 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/jm0303103 | |||||
16132144 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | 216058 | 36 | None | - | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | |||||
CHEMBL2369959 | 216519 | 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](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 | |||||
CHEMBL2370154 | 216580 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | 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 | |||||
44323211 | 113795 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[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 | |||
CHEMBL315397 | 113795 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[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 | |||
CHEMBL432201 | 220412 | 0 | None | - | 0 | Mouse | 5.0 | pEC50 | = | 5.0 | 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 | |||||
CHEMBL96871 | 222700 | 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 | |||||
CHEMBL327479 | 218073 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | |||||
44323233 | 113493 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL314401 | 113493 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL2369972 | 216532 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | |||||
CHEMBL347364 | 218492 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369970 | 216530 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | 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 | |||||
CHEMBL2369983 | 216543 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | |||||
CHEMBL94369 | 222687 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | |||||
CHEMBL154251 | 215580 | 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](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL320157 | 218005 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | |||||
44369234 | 52020 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 52020 | 0 | None | - | 0 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 217387 | 1 | None | -39 | 2 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | |||||
CHEMBL188738 | 215838 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | |||||
CHEMBL190551 | 215845 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | |||||
CHEMBL358833 | 218582 | 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](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
CHEMBL347216 | 218491 | 0 | None | - | 0 | Mouse | 5.8 | pEC50 | = | 5.8 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL348901 | 218495 | 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](Cc1ccc(-c2ccccc2)cc1)C(N)=O | 10.1021/jm020296e | |||||
11038873 | 178659 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | 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 | 178659 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | 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 | |||
CHEMBL2369976 | 216536 | 0 | None | - | 0 | Mouse | 4.8 | pEC50 | = | 4.8 | 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 | |||||
44323020 | 175775 | 0 | None | 7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 175775 | 0 | None | 7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | |||
CHEMBL431092 | 220401 | 0 | None | - | 0 | Mouse | 4.7 | pEC50 | = | 4.7 | 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 | |||||
CHEMBL188459 | 215836 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 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[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL372237 | 218951 | 0 | None | - | 0 | Human | 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 | |||||
CHEMBL346925 | 218490 | 0 | None | - | 0 | Mouse | 4.7 | pEC50 | = | 4.7 | 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](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
44269189 | 105114 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 105114 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | 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 | |||
CHEMBL317968 | 217986 | 0 | None | - | 0 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | |||||
CHEMBL2096693 | 215983 | 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 | |||||
CHEMBL2369969 | 216529 | 0 | None | - | 0 | Mouse | 4.6 | pEC50 | = | 4.6 | 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](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 | |||||
CHEMBL373344 | 218954 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | |||||
44269217 | 37033 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 37033 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | 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 | |||
CHEMBL152986 | 215576 | 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)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369967 | 216527 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | 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 | |||||
CHEMBL330561 | 218112 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | |||||
1325 | 10372 | 14 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
6440621 | 10372 | 14 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
9898183 | 10372 | 14 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL3422426 | 10372 | 14 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL349795 | 218499 | 0 | None | - | 0 | Mouse | 4.5 | pEC50 | = | 4.5 | 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](Cc1cccs1)C(N)=O | 10.1021/jm020296e | |||||
CHEMBL2369977 | 216537 | 0 | None | - | 0 | Mouse | 4.5 | pEC50 | = | 4.5 | 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](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 | |||||
CHEMBL186970 | 215833 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | 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[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL191120 | 215859 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | 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(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL365262 | 218816 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 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[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL2369982 | 216542 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | |||||
CHEMBL2369975 | 216535 | 0 | None | - | 0 | Mouse | 7.5 | pEC50 | = | 7.5 | 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](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 | |||||
CHEMBL2371147 | 216796 | 0 | None | - | 0 | Mouse | 4.5 | pEC50 | = | 4.5 | 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@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
CHEMBL2369966 | 216526 | 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]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 | |||||
CHEMBL154153 | 215579 | 0 | None | - | 0 | Mouse | 5.5 | pEC50 | = | 5.5 | 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 | |||||
CHEMBL151906 | 215573 | 0 | None | - | 0 | Mouse | 5.4 | pEC50 | = | 5.4 | 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](Cc1csc2ccccc12)C(N)=O | 10.1021/jm020296e | |||||
44269214 | 105270 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | 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 | 105270 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | 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 | |||
CHEMBL2369962 | 216522 | 0 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | 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 | |||||
CHEMBL365794 | 218820 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | 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 | |||||
CHEMBL370321 | 218946 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | 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 | |||||
44323212 | 175498 | 0 | None | 1 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL436903 | 175498 | 0 | None | 1 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL2369965 | 216525 | 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](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 | |||||
137635396 | 162629 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1607 | 50 | 22 | 21 | -4.6 | 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](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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.7b00301 | |||
CHEMBL4060118 | 162629 | 0 | None | - | 0 | Mouse | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1607 | 50 | 22 | 21 | -4.6 | 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](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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.7b00301 | |||
CHEMBL2369963 | 216523 | 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](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 | |||||
CHEMBL190080 | 215841 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 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 | |||||
CHEMBL190953 | 215856 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | 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[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL2371829 | 216913 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | 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 | |||||
CHEMBL152555 | 215574 | 0 | None | - | 0 | Mouse | 4.3 | pEC50 | = | 4.3 | 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](C(N)=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm020296e | |||||
CHEMBL264190 | 217387 | 1 | None | -39 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | 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/jm020296e | |||||
CHEMBL2304247 | 216263 | 0 | None | - | 0 | Mouse | 8.2 | pEC50 | = | 8.2 | Binding | 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 | |||||
CHEMBL3350327 | 218249 | 0 | None | - | 0 | Mouse | 8.2 | pEC50 | = | 8.2 | Binding | 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 | |||||
CHEMBL2369964 | 216524 | 0 | None | - | 0 | Mouse | 8.2 | pEC50 | = | 8.2 | 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 | |||||
CHEMBL94391 | 222688 | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm0104872 | |||||
CHEMBL191063 | 215858 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | 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(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL189991 | 215840 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | 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(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL190732 | 215846 | 0 | None | - | 0 | Human | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL264190 | 217387 | 1 | None | -39 | 2 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | |||||
10260053 | 174982 | 0 | None | 4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 174982 | 0 | None | 4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | |||
CHEMBL365913 | 218822 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | 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[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
44323234 | 174835 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 174835 | 0 | None | 7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | |||
44322795 | 213705 | 0 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 213705 | 0 | None | -13 | 3 | Human | 7.2 | pEC50 | = | 7.2 | 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 | |||
11813437 | 105305 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 105305 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | 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 | |||
CHEMBL357558 | 218522 | 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](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm020296e | |||||
44322869 | 112937 | 0 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 112937 | 0 | None | 6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | |||
46877881 | 208597 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 208597 | 0 | None | -2 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | |||
CHEMBL190203 | 215843 | 0 | None | - | 0 | Human | 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(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL330233 | 218110 | 0 | None | - | 0 | Mouse | 5.1 | pEC50 | = | 5.1 | 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 | |||||
CHEMBL2371147 | 216796 | 0 | None | - | 0 | Mouse | 5.0 | pEC50 | = | 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@@]1(C(N)=O)CCc2ccccc2C1 | 10.1021/jm020296e | |||||
CHEMBL1161322 | 215287 | 0 | None | -1 | 2 | Human | 9.7 | pIC50 | = | 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]2CCCN2C1=O | 10.1021/jm0202526 | |||||
44366081 | 17034 | 0 | None | -2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | 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 | 17034 | 0 | None | -2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | 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 | |||
CHEMBL2096742 | 215985 | 0 | None | -5 | 2 | Human | 9.6 | pIC50 | = | 9.6 | 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/jm0202526 | |||||
CHEMBL500743 | 220903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 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](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | |||||
145972289 | 171299 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4214826 | 171299 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | 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(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
44418421 | 175372 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | |||
CHEMBL435923 | 175372 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | |||
CHEMBL393075 | 219241 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | |||||
CHEMBL204310 | 215943 | 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 | |||||
122184576 | 129206 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | 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)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 | 129206 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | 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)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 | |||
CHEMBL413573 | 219854 | 0 | None | -1 | 2 | Human | 8.8 | pIC50 | = | 8.8 | 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](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL428801 | 220251 | 0 | None | -100 | 3 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | |||||
133053557 | 170485 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4204975 | 170485 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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(CCCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
118735101 | 125579 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 125579 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | |||
CHEMBL410795 | 219621 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | 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 | |||||
118735103 | 125581 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | 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 | 125581 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | 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 | |||
44315095 | 109910 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 559 | 13 | 3 | 4 | 4.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL307857 | 109910 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 559 | 13 | 3 | 4 | 4.2 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
155544852 | 181718 | 0 | None | -31 | 4 | Mouse | 5.0 | pIC50 | = | 5 | 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 | 181718 | 0 | None | -31 | 4 | Mouse | 5.0 | pIC50 | = | 5 | 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 | |||
CHEMBL410217 | 219587 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=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 | |||||
127047853 | 146771 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | 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 | 146771 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | 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 | |||
44448629 | 174242 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 174242 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
122184635 | 129212 | 0 | None | 1 | 4 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 129212 | 0 | None | 1 | 4 | Human | 7.0 | pIC50 | = | 7.0 | 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 | |||
145977650 | 170613 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
CHEMBL4206406 | 170613 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)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 | |||
44445083 | 161084 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 161084 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||
145948876 | 174262 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 174262 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||
CHEMBL1161316 | 215283 | 0 | None | -63 | 2 | 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)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
6918813 | 138149 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 138149 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
24774602 | 175710 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL438744 | 175710 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 766 | 9 | 10 | 9 | -0.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||
CHEMBL2096710 | 215984 | 0 | None | - | 1 | 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](CCCN=C(N)N)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/jm049620r | |||||
44445085 | 103849 | 0 | None | -2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 103849 | 0 | None | -2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
CHEMBL425591 | 220117 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
10304547 | 175031 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 175031 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||
CHEMBL382369 | 219084 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0510326 | |||||
44448479 | 162150 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | 162150 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | |||
176 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2157 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
2566 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL633 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
DB01118 | 7186 | 66 | None | -6 | 31 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
CHEMBL373344 | 218954 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 215836 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||||
CHEMBL190203 | 215843 | 0 | None | - | 0 | Human | 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[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL3578004 | 218537 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.5b00184 | |||||
122184909 | 129332 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 129332 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
CHEMBL203760 | 215940 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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]2CCCN2C1=O | 10.1021/jm0510326 | |||||
122184638 | 129215 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 129215 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
71449047 | 85255 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 85255 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | |||
127047624 | 146674 | 0 | None | -177 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | |||
CHEMBL3799408 | 146674 | 0 | None | -177 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1054 | 36 | 12 | 13 | -0.1 | 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(N)=O | 10.1021/acs.jmedchem.5b01894 | |||
127046235 | 146416 | 0 | None | - | 0 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | 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 | 146416 | 0 | None | - | 0 | Mouse | 4.9 | pIC50 | = | 4.9 | Binding | 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 | |||
10188529 | 133559 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 133559 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | |||
CHEMBL3350396 | 218258 | 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 | |||||
145964837 | 171126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 171126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | |||
CHEMBL2373991 | 217160 | 0 | None | -5 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(=O)O)NC1=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 | 10.1021/jm049620r | |||||
CHEMBL263822 | 217369 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL383250 | 219091 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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(=O)O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL2371962 | 216938 | 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](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 | |||||
CHEMBL103817 | 215238 | 0 | None | -52 | 3 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | 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/acs.jmedchem.5b01894 | |||||
122184634 | 129211 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 129211 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
44448660 | 101748 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 101748 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
44449216 | 102046 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 6 | 1 | 3 | 6.4 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL256286 | 102046 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 559 | 6 | 1 | 3 | 6.4 | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 | 10.1016/j.bmcl.2008.04.049 | |||
CHEMBL3600912 | 218600 | 0 | None | - | 1 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
44366171 | 128072 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 128072 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
127053936 | 159019 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 159019 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
155546131 | 180309 | 0 | None | -10 | 3 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | 180309 | 0 | None | -10 | 3 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | |||
2247 | 7293 | 81 | None | -147 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 7293 | 81 | None | -147 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 7293 | 81 | None | -147 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 7293 | 81 | None | -147 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 7293 | 81 | None | -147 | 42 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL186970 | 215833 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
145973975 | 171436 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 171436 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
6918813 | 138149 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 138149 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
71456245 | 85751 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 85751 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | |||
122184911 | 129334 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
CHEMBL3601429 | 129334 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||
122184575 | 129205 | 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 | 129205 | 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 | |||
10282847 | 129743 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 129743 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
CHEMBL3577981 | 218528 | 1 | None | -31 | 3 | Mouse | 4.8 | pIC50 | = | 4.8 | 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 | |||||
5624 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL1203324 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL141343 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
57854192 | 159828 | 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 | |||
CHEMBL3975851 | 159828 | 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 | |||
127053937 | 155832 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 155832 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
4189 | 213701 | 96 | None | -54 | 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 | 213701 | 96 | None | -54 | 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 | 213701 | 96 | None | -54 | 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 | |||
1338 | 10579 | 43 | None | - | 4 | Rat | 5.7 | pIC50 | = | 5.7 | 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 | 10579 | 43 | None | - | 4 | Rat | 5.7 | pIC50 | = | 5.7 | 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 | 10579 | 43 | None | - | 4 | Rat | 5.7 | pIC50 | = | 5.7 | 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 | |||
16132144 | 216058 | 36 | None | -30 | 4 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||||
CHEMBL3600840 | 218596 | 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)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 | |||||
CHEMBL1161321 | 215286 | 0 | None | -19 | 2 | Human | 6.7 | pIC50 | = | 6.7 | 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)C2(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
44577514 | 179234 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 179234 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
CHEMBL2112008 | 216005 | 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 | |||||
CHEMBL2221249 | 216222 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||||
1016 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 10519 | 78 | None | -56 | 35 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL365913 | 218822 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL190427 | 215844 | 0 | None | - | 0 | Human | 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 | |||||
CHEMBL190551 | 215845 | 0 | None | - | 0 | Human | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | |||||
CHEMBL503229 | 220942 | 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](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 | 220699 | 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](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 | |||||
145967155 | 171022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 171022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | |||
CHEMBL502300 | 220931 | 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 | |||||
CHEMBL2096742 | 215985 | 0 | None | -5 | 2 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm801300c | |||||
CHEMBL501592 | 220920 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](NC(=N)N)CN2C1=O | 10.1021/jm801300c | |||||
CHEMBL3752534 | 218995 | 1 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL1161320 | 215285 | 0 | None | 12 | 2 | 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](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL1161323 | 215288 | 0 | None | -5 | 2 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
122184637 | 129214 | 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 | 129214 | 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 | |||
CHEMBL204263 | 215942 | 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 | |||||
CHEMBL524861 | 222402 | 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 | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
145975465 | 170728 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 170728 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | |||
122184910 | 129333 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 129333 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||
24774521 | 161037 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 161037 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | |||
CHEMBL3600832 | 218592 | 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)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 | |||||
71456219 | 85522 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 85522 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
44396986 | 74206 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 74206 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
44408287 | 82161 | 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 | |||
CHEMBL203911 | 82161 | 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 | |||
15953838 | 74044 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 74044 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 74044 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
168282779 | 197950 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 197950 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
CHEMBL3600920 | 218602 | 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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145988152 | 173823 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | |||
CHEMBL4288909 | 173823 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 720 | 17 | 7 | 6 | 2.3 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)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 | |||
127053935 | 150963 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 150963 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | |||
CHEMBL217305 | 216152 | 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](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1016/s0960-894x(03)00412-8 | |||||
122184499 | 129171 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 129171 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
24774438 | 101630 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 101630 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
9808801 | 67583 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 67583 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
44408286 | 147446 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 147446 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
6918813 | 138149 | 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 | 138149 | 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 | |||
168273822 | 197349 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 197349 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
122184578 | 129208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 129208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
CHEMBL217584 | 216156 | 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](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 | |||||
2726 | 7706 | 68 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 7706 | 68 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 7706 | 68 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 7706 | 68 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 7706 | 68 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
168285801 | 198260 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 198260 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||
44347840 | 168703 | 0 | None | -17 | 3 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 168703 | 0 | None | -17 | 3 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 168703 | 0 | None | -17 | 3 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
CHEMBL2096759 | 215987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 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)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 | |||||
CHEMBL2115441 | 216047 | 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 | |||||
CHEMBL380638 | 219050 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
137651071 | 164246 | 0 | None | - | 1 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | 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 | 164246 | 0 | None | - | 1 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | 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 | |||
145976444 | 170742 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 170742 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | |||
CHEMBL3600834 | 218594 | 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 | |||||
CHEMBL2371966 | 216942 | 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](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | |||||
CHEMBL203602 | 215939 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1021/jm0510326 | |||||
CHEMBL381739 | 219071 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | 10.1021/jm0510326 | |||||
CHEMBL3349030 | 218184 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | |||||
6918707 | 110969 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 601 | 14 | 5 | 4 | 3.7 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(=N)N)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
CHEMBL309807 | 110969 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 601 | 14 | 5 | 4 | 3.7 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(=N)N)C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 | 10.1016/s0960-894x(03)00412-8 | |||
155561116 | 181752 | 0 | None | -10 | 4 | Mouse | 4.6 | pIC50 | = | 4.6 | 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 | 181752 | 0 | None | -10 | 4 | Mouse | 4.6 | pIC50 | = | 4.6 | 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 | |||
44431512 | 152702 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 152702 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
CHEMBL2372588 | 217051 | 0 | None | -316 | 2 | 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]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | |||||
44348144 | 164601 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 164601 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
44349173 | 123768 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1016/j.bmcl.2003.10.056 | |||
CHEMBL338768 | 123768 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1016/j.bmcl.2003.10.056 | |||
44448631 | 101845 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 101845 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
44448590 | 102374 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 102374 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
CHEMBL2371712 | 216888 | 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)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 | |||||
44347838 | 103418 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 103418 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | |||
CHEMBL3600835 | 218595 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL2096742 | 215985 | 0 | None | -5 | 2 | 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)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm070461w | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | |||||
CHEMBL266417 | 217462 | 0 | None | -8 | 3 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm00018a005 | |||||
CHEMBL3600736 | 218591 | 0 | None | - | 0 | 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)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | |||||
145964017 | 170820 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | 170820 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | |||
16132144 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm049579s | |||||
16133793 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm049579s | |||||
44273719 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm049579s | |||||
CHEMBL214332 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm049579s | |||||
16132144 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm030111j | |||||
16133793 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm030111j | |||||
44273719 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm030111j | |||||
CHEMBL214332 | 216058 | 36 | None | -30 | 4 | Human | 7.5 | pIC50 | = | 7.5 | 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/jm030111j | |||||
CHEMBL408509 | 219499 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 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@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 | |||||
168295644 | 199091 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 199091 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
44348183 | 103940 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 103940 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
44408173 | 82176 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 82176 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | |||
CHEMBL188738 | 215838 | 0 | None | - | 0 | Human | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
6918849 | 129742 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 129742 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
163196518 | 198908 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 198908 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
24774519 | 101629 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 101629 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
CHEMBL2310901 | 216277 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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)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 | |||||
132938008 | 166292 | 0 | None | -138 | 3 | Mouse | 5.5 | pIC50 | = | 5.5 | 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 | 166292 | 0 | None | -138 | 3 | Mouse | 5.5 | pIC50 | = | 5.5 | 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 | |||
CHEMBL4299619 | 220374 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | 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(=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 | |||||
54587278 | 67592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 67592 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | |||
CHEMBL3601426 | 218605 | 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](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 | |||||
6918276 | 22383 | 7 | None | -309 | 8 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 22383 | 7 | None | -309 | 8 | Human | 5.5 | pIC50 | = | 5.5 | 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 | |||
CHEMBL3349030 | 218184 | 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 | |||||
137653916 | 165359 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | 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 | 165359 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | 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 | |||
127047475 | 146527 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | 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 | 146527 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | 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 | 146527 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | 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 | |||
127047336 | 146576 | 0 | None | -52 | 3 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | 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 | 146576 | 0 | None | -52 | 3 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | 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 | |||
44418430 | 90030 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL218748 | 90030 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
10077258 | 21803 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 21803 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
3198 | 212292 | 76 | None | -75 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 212292 | 76 | None | -75 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 212292 | 76 | None | -75 | 34 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL3600842 | 218598 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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)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 | |||||
24857886 | 162027 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 162027 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
24858629 | 202248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 202248 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
44408155 | 147331 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 147331 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
44445082 | 161081 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 161081 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
54586246 | 67591 | 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 | |||
CHEMBL1762008 | 67591 | 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 | |||
CHEMBL2371967 | 216943 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O | 10.1021/jm0614275 | |||||
CHEMBL190732 | 215846 | 0 | None | - | 0 | Human | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O | 10.1021/jm0490033 | |||||
CHEMBL2371835 | 216916 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||||
CHEMBL365794 | 218820 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||||
1324 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | |||||
145973779 | 171511 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 171511 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | |||
44577510 | 195514 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 195514 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
1334 | 8283 | 7 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 8283 | 7 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 8283 | 7 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL1775066 | 215660 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||||
44408388 | 147101 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 147101 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
44277696 | 107982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 107982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
44277696 | 107982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 107982 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
CHEMBL1161318 | 215284 | 0 | None | -79 | 2 | Human | 7.4 | pIC50 | = | 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(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
44397220 | 174083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 174083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
CHEMBL3600841 | 218597 | 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](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 | |||||
137649368 | 164185 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | 164185 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | |||
15953833 | 85749 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 85749 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
16725559 | 101764 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 101764 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
44431513 | 152587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 152587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
44348200 | 166975 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 166975 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
CHEMBL3348530 | 218181 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)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/j.bmcl.2003.10.056 | |||||
132180599 | 163672 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | 163672 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | 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 | |||
CHEMBL2371965 | 216941 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CC3CCCCC3N2C1=O | 10.1021/jm0614275 | |||||
CHEMBL439691 | 220627 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||||
168296790 | 199125 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 199125 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | |||
168273291 | 197311 | 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 | 197311 | 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 | |||
145987870 | 174013 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 620 | 14 | 5 | 5 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
CHEMBL4292317 | 174013 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 620 | 14 | 5 | 5 | 2.2 | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/j.ejmech.2018.04.021 | |||
44408190 | 103698 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 103698 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
CHEMBL3600833 | 218593 | 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](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
CHEMBL3349030 | 218184 | 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 | |||||
49862378 | 21814 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 21814 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
71459938 | 85756 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 85756 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
44397455 | 130621 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 130621 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
CHEMBL417853 | 220017 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)CNCCCN=C(N)N)C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00164-1 | |||||
46919520 | 21910 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 21910 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
44408276 | 82282 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 82282 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
49862425 | 21832 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 21832 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
155551202 | 180738 | 0 | None | - | 0 | Mouse | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
CHEMBL4541505 | 180738 | 0 | None | - | 0 | Mouse | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 895 | 8 | 8 | 10 | -0.5 | C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.9b00860 | |||
44418431 | 143334 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL373821 | 143334 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 334 | 4 | 0 | 2 | 3.1 | O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 | 10.1016/j.bmcl.2006.07.015 | |||
CHEMBL413439 | 219849 | 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](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 | |||||
145966716 | 171084 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 171084 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | |||
1324 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | |||||
44431511 | 94841 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 94841 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
CHEMBL263948 | 217378 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||||
CHEMBL1775062 | 215659 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||||
118735100 | 125578 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 125578 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
CHEMBL191120 | 215859 | 0 | None | - | 0 | Human | 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[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL191063 | 215858 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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(CCCN=C(N)N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12 | 10.1021/jm0490033 | |||||
CHEMBL370321 | 218946 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
CHEMBL264190 | 217387 | 1 | None | -39 | 2 | Mouse | 4.3 | pIC50 | = | 4.3 | 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/acs.jmedchem.7b00301 | |||||
CHEMBL3600921 | 218603 | 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)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 | |||||
44408252 | 147447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 147447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
155548853 | 180588 | 0 | None | -79 | 4 | Mouse | 4.3 | pIC50 | = | 4.3 | 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 | 180588 | 0 | None | -79 | 4 | Mouse | 4.3 | pIC50 | = | 4.3 | 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 | |||
137653704 | 165412 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | 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 | 165412 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | 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 | |||
CHEMBL3600913 | 218601 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O | 10.1021/acs.jmedchem.5b00102 | |||||
145971389 | 171412 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 171412 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | |||
132180598 | 164628 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | 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 | 164628 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | 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 | |||
CHEMBL446185 | 220723 | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0510326 | |||||
71449048 | 85256 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 85256 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | |||
145966490 | 171141 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 171141 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||
145948912 | 174264 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | 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 | 174264 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | 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 | |||
122184914 | 129337 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 129337 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | 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 | |||
145966364 | 170899 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL4209913 | 170899 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 865 | 11 | 12 | 9 | -0.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/acs.jmedchem.8b00488 | |||
CHEMBL3754655 | 219002 | 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](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.5b01285 | |||||
CHEMBL414778 | 219935 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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](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 | |||||
CHEMBL438920 | 220588 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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](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 | |||||
CHEMBL204864 | 215945 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O | 10.1021/jm0510326 | |||||
16157270 | 219332 | 14 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | |||||
CHEMBL405282 | 219332 | 14 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | |||||
CHEMBL2372589 | 217052 | 0 | None | 15 | 2 | 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]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
16157270 | 219332 | 14 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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/jm049579s | |||||
CHEMBL405282 | 219332 | 14 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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/jm049579s | |||||
CHEMBL427205 | 220131 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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](C(C)C)NC1=O | 10.1021/jm0510326 | |||||
122184912 | 129336 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 129336 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | |||
CHEMBL3349030 | 218184 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||||
44577520 | 195603 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 195603 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
CHEMBL411359 | 219658 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||||
44396987 | 73967 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 73967 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
71452720 | 85746 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 85746 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
71456220 | 85523 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 85523 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
CHEMBL264190 | 217387 | 1 | None | - | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||||
44408253 | 147122 | 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 | 147122 | 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 | |||
CHEMBL2371963 | 216939 | 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]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm0614275 | |||||
CHEMBL190080 | 215841 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
168295131 | 199021 | 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 | 199021 | 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 | |||
CHEMBL3600843 | 218599 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.5b00102 | |||||
52918026 | 67582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 67582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
137658359 | 166350 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | 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 | 166350 | 0 | None | - | 1 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | 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 | |||
10257242 | 21802 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 21802 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | |||
CHEMBL3601431 | 218606 | 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)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 | |||||
44408189 | 175658 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 175658 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | |||
168278924 | 197845 | 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]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 | 197845 | 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]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 | |||
1334 | 8283 | 7 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
16133814 | 8283 | 7 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
CHEMBL437050 | 8283 | 7 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | |||||
1334 | 8283 | 7 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
16133814 | 8283 | 7 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL437050 | 8283 | 7 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | |||||
CHEMBL3349030 | 218184 | 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 | |||||
145976863 | 170537 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 170537 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
168274393 | 196884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 196884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
54584302 | 67586 | 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 | |||
CHEMBL1761874 | 67586 | 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 | |||
54584301 | 67584 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 67584 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
44408154 | 148140 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 148140 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.05.012 | |||
9938402 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.05.012 | |||
CHEMBL339053 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.05.012 | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.11.095 | |||
9938402 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.11.095 | |||
CHEMBL339053 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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.2005.11.095 | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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 | 10.1021/jm025539h | |||
9938402 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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 | 10.1021/jm025539h | |||
CHEMBL339053 | 10579 | 43 | None | -75 | 4 | Human | 6.1 | pIC50 | = | 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 | 10.1021/jm025539h | |||
49862375 | 21811 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 21811 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
CHEMBL190953 | 215856 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||||
CHEMBL275999 | 217605 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | |||||
CHEMBL372237 | 218951 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O | 10.1021/jm0490033 | |||||
122184577 | 129207 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 129207 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | |||||
122184636 | 129213 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 129213 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||
1324 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16154396 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
16197727 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
44285019 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
57514683 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
91898441 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
CHEMBL441738 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
DB04931 | 7090 | 25 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | |||||
CHEMBL3349030 | 218184 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | |||||
CHEMBL409144 | 219526 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||||
10210964 | 74017 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 74017 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
44445084 | 167518 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 167518 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
44408275 | 82194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 82194 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
CHEMBL3799094 | 219047 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | 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 | |||||
CHEMBL375947 | 219011 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm0614275 | |||||
49862377 | 21813 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 21813 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
11753695 | 15165 | 7 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 15165 | 7 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
122184633 | 129210 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 129210 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | 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 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | |||||
145990599 | 173634 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 173634 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
44397410 | 131137 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 131137 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
1337 | 10197 | 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 | 10197 | 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 | 10197 | 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 | |||
137639815 | 163581 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | 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 | 163581 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | 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 | |||
10304776 | 85754 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 85754 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | |||
10483153 | 67585 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 67585 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | |||
132180597 | 162950 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | 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 | 162950 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | 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 | |||
CHEMBL3600922 | 218604 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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)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 | |||||
CHEMBL389674 | 219212 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 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 | |||||
127046262 | 146598 | 0 | None | -79 | 3 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | |||
CHEMBL3798912 | 146598 | 0 | None | -79 | 3 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1012 | 35 | 12 | 13 | -0.3 | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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 | |||
1325 | 10372 | 14 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | |||||
6440621 | 10372 | 14 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | |||||
9898183 | 10372 | 14 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3422426 | 10372 | 14 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | |||||
44366081 | 17034 | 0 | None | -2 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | 17034 | 0 | None | -2 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | |||
CHEMBL2372589 | 217052 | 0 | None | 15 | 2 | Human | 9.2 | pKd | = | 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]2Cc3ccccc3CN2C1=O | 10.1021/jm0202526 | |||||
CHEMBL1161322 | 215287 | 0 | None | -1 | 2 | Human | 9.0 | pKd | = | 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]2CCCN2C1=O | 10.1021/jm0202526 | |||||
1325 | 10372 | 14 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
6440621 | 10372 | 14 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
9898183 | 10372 | 14 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL3422426 | 10372 | 14 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | |||||
CHEMBL2096742 | 215985 | 0 | None | -5 | 2 | Human | 8.7 | pKd | = | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0202526 | |||||
122178168 | 128039 | 0 | None | -25 | 2 | Mouse | 7.0 | pKd | = | 7 | Binding | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)C(CCN)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.5b00184 | |||
CHEMBL3577997 | 128039 | 0 | None | -25 | 2 | Mouse | 7.0 | pKd | = | 7 | Binding | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)C(CCN)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.5b00184 | |||
CHEMBL3577999 | 218532 | 0 | None | -19 | 2 | Mouse | 7.0 | pKd | = | 7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCN)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.5b00184 | |||||
122178158 | 128031 | 0 | None | -10 | 2 | Mouse | 6.0 | pKd | = | 6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | |||
CHEMBL3577987 | 128031 | 0 | None | -10 | 2 | Mouse | 6.0 | pKd | = | 6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | |||
122178167 | 128038 | 0 | None | -162 | 2 | Mouse | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)C(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.5b00184 | |||
CHEMBL3577996 | 128038 | 0 | None | -162 | 2 | Mouse | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)C(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.5b00184 | |||
118735609 | 125658 | 0 | None | -251 | 2 | Mouse | 5.9 | pKd | = | 5.9 | 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 | 125658 | 0 | None | -251 | 2 | Mouse | 5.9 | pKd | = | 5.9 | 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 | |||
CHEMBL3577980 | 218527 | 0 | None | -7 | 2 | Mouse | 5.9 | pKd | = | 5.9 | 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]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | |||||
122178169 | 128040 | 0 | None | -31 | 2 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 977 | 13 | 10 | 10 | -0.4 | C[C@@H]1NC(=O)C(CCCN)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.5b00184 | |||
CHEMBL3577998 | 128040 | 0 | None | -31 | 2 | Mouse | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 977 | 13 | 10 | 10 | -0.4 | C[C@@H]1NC(=O)C(CCCN)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.5b00184 | |||
CHEMBL3578000 | 218533 | 0 | None | -50 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)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.5b00184 | |||||
118735610 | 125659 | 0 | None | -398 | 2 | Mouse | 5.7 | pKd | = | 5.7 | 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 | 125659 | 0 | None | -398 | 2 | Mouse | 5.7 | pKd | = | 5.7 | 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 | |||
CHEMBL3577995 | 218531 | 0 | None | -6 | 2 | Mouse | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)CNC(=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.5b00184 | |||||
CHEMBL1161320 | 215285 | 0 | None | 12 | 2 | Human | 7.6 | pKd | = | 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)NC(=O)C2(CC2)NC1=O | 10.1021/jm0202526 | |||||
122178164 | 128036 | 0 | None | -158 | 2 | Mouse | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | |||
CHEMBL3577993 | 128036 | 0 | None | -158 | 2 | Mouse | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | |||
CHEMBL1161318 | 215284 | 0 | None | -79 | 2 | Human | 6.5 | pKd | = | 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)C2(CCCCC2)NC1=O | 10.1021/jm0202526 | |||||
CHEMBL3577981 | 218528 | 1 | None | -31 | 3 | Mouse | 6.4 | pKd | = | 6.4 | 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.5b00184 | |||||
CHEMBL1161321 | 215286 | 0 | None | -19 | 2 | Human | 6.4 | pKd | = | 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(Cc3ccccc3C2)NC1=O | 10.1021/jm0202526 | |||||
118735604 | 125655 | 0 | None | -251 | 2 | Mouse | 5.4 | pKd | = | 5.4 | 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 | 125655 | 0 | None | -251 | 2 | Mouse | 5.4 | pKd | = | 5.4 | 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 | |||
CHEMBL440801 | 220648 | 0 | None | -25 | 2 | Human | 8.3 | pKd | = | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303103 | |||||
CHEMBL2096742 | 215985 | 0 | None | -5 | 2 | Human | 8.3 | pKd | = | 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](Cc2c[nH]cn2)NC1=O | 10.1021/jm0303103 | |||||
CHEMBL1161323 | 215288 | 0 | None | -5 | 2 | Human | 8.2 | pKd | = | 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]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O | 10.1021/jm0202526 | |||||
CHEMBL3577977 | 218524 | 0 | None | -3 | 2 | Mouse | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3577978 | 218525 | 0 | None | -10 | 2 | Mouse | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3577982 | 218529 | 0 | None | -3 | 2 | Mouse | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(-c3ccccc3)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.5b00184 | |||||
CHEMBL3578003 | 218536 | 0 | None | - | 1 | Mouse | 6.2 | pKd | = | 6.2 | 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](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL1161316 | 215283 | 0 | None | -63 | 2 | Human | 6.2 | pKd | = | 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](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | 10.1021/jm0202526 | |||||
122178157 | 128030 | 0 | None | -50 | 2 | Mouse | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | |||
CHEMBL3577986 | 128030 | 0 | None | -50 | 2 | Mouse | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | |||
CHEMBL3577976 | 218523 | 0 | None | -2 | 2 | Mouse | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3578002 | 218535 | 0 | None | - | 1 | Mouse | 6.1 | pKd | = | 6.1 | 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](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL2372588 | 217051 | 0 | None | -316 | 2 | Human | 6.1 | pKd | = | 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)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2Cc3ccccc3N2C1=O | 10.1021/jm0202526 | |||||
162643092 | 188503 | 0 | None | -1 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 188503 | 0 | None | -1 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162643092 | 188503 | 0 | None | -1 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
CHEMBL4777048 | 188503 | 0 | None | -1 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3cc(Cl)ccc23)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.0c01620 | |||
162673650 | 189832 | 0 | None | -1 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 189832 | 0 | None | -1 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
162673650 | 189832 | 0 | None | -1 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
CHEMBL4794121 | 189832 | 0 | None | -1 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3c(Cl)cccc23)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.0c01620 | |||
162676295 | 190232 | 0 | None | -2 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 190232 | 0 | None | -2 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
162676295 | 190232 | 0 | None | -2 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL4798971 | 190232 | 0 | None | -2 | 2 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3cc(F)ccc23)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.0c01620 | |||
CHEMBL414718 | 219930 | 0 | None | -1 | 4 | Human | 10.0 | pKi | = | 10.0 | 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 | |||||
1325 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
1325 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
6440621 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
9898183 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL3422426 | 10372 | 14 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
162673931 | 189837 | 0 | None | -8 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 189837 | 0 | None | -8 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162673931 | 189837 | 0 | None | -8 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4794168 | 189837 | 0 | None | -8 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL2370968 | 216750 | 0 | None | 1 | 3 | Human | 9.7 | pKi | = | 9.7 | 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](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 | |||||
CHEMBL442504 | 220695 | 0 | None | -3 | 3 | Human | 9.6 | pKi | = | 9.6 | 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 | |||||
CHEMBL415165 | 219955 | 0 | None | -2 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
162668987 | 189369 | 0 | None | -15 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 189369 | 0 | None | -15 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162668987 | 189369 | 0 | None | -15 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
CHEMBL4788071 | 189369 | 0 | None | -15 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3c(F)cccc23)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.0c01620 | |||
162672763 | 189903 | 0 | None | -13 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 189903 | 0 | None | -13 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162672763 | 189903 | 0 | None | -13 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
CHEMBL4794990 | 189903 | 0 | None | -13 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1092 | 17 | 14 | 11 | 0.3 | 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]c3ccc(F)cc23)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.0c01620 | |||
162672255 | 189650 | 0 | None | -13 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 189650 | 0 | None | -13 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672255 | 189650 | 0 | None | -13 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791788 | 189650 | 0 | None | -13 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672837 | 189800 | 0 | None | -18 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 189800 | 0 | None | -18 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
162672837 | 189800 | 0 | None | -18 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
CHEMBL4793821 | 189800 | 0 | None | -18 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1098 | 17 | 13 | 13 | 0.4 | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[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.0c01620 | |||
168277761 | 197079 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | 197079 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | 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 | |||
1324 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | |||||
162677133 | 190336 | 0 | None | -19 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 190336 | 0 | None | -19 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
162677133 | 190336 | 0 | None | -19 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
CHEMBL4800268 | 190336 | 0 | None | -19 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1108 | 17 | 14 | 11 | 0.8 | 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]c3ccc(Cl)cc23)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.0c01620 | |||
1324 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | |||||
CHEMBL2370964 | 216746 | 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](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 | |||||
CHEMBL385465 | 219130 | 0 | None | -10 | 3 | Human | 9.0 | pKi | = | 9.0 | 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 | |||||
44415913 | 86726 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212614 | 86726 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 736 | 16 | 6 | 7 | 0.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44415914 | 146048 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL379054 | 146048 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 762 | 16 | 6 | 7 | 1.8 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44415919 | 148366 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL385000 | 148366 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 780 | 16 | 6 | 7 | 1.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL2370154 | 216580 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | 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 | |||||
CHEMBL266879 | 217485 | 0 | None | -6 | 4 | Human | 8.8 | pKi | = | 8.8 | 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 | |||||
162665450 | 189075 | 0 | None | -10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 189075 | 0 | None | -10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162665450 | 189075 | 0 | None | -10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4784053 | 189075 | 0 | None | -10 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3ccc4ccccc4c3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
168273645 | 197104 | 0 | None | -24 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | 197104 | 0 | None | -24 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | |||
16172929 | 219780 | 15 | None | -12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
CHEMBL412536 | 219780 | 15 | None | -12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | |||||
168289404 | 198091 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | 198091 | 0 | None | -15 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | |||
122178168 | 128039 | 0 | None | -25 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)C(CCN)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.5b00184 | |||
CHEMBL3577997 | 128039 | 0 | None | -25 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 963 | 12 | 10 | 10 | -0.7 | C[C@@H]1NC(=O)C(CCN)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.5b00184 | |||
CHEMBL3577999 | 218532 | 0 | None | -19 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCN)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.5b00184 | |||||
CHEMBL5087814 | 221898 | 0 | None | -26 | 3 | Human | 7.0 | pKi | = | 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]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 | |||||
44400811 | 75416 | 0 | None | -416 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 10 | 3 | 5 | 5.7 | CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL191857 | 75416 | 0 | None | -416 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 615 | 10 | 3 | 5 | 5.7 | CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
9915636 | 73598 | 0 | None | -58 | 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 | 73598 | 0 | None | -58 | 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 | |||
122178158 | 128031 | 0 | None | -10 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | |||
CHEMBL3577987 | 128031 | 0 | None | -10 | 2 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)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 | |||
44434860 | 96817 | 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 | 96817 | 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 | |||
CHEMBL5094168 | 222258 | 0 | None | -707 | 3 | Human | 7.0 | pKi | = | 7.0 | 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](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 | |||||
CHEMBL5090946 | 222064 | 0 | None | -75 | 3 | Human | 7.0 | pKi | = | 7.0 | 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 | |||||
44401341 | 142451 | 0 | None | -3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 630 | 13 | 5 | 4 | 4.5 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL372965 | 142451 | 0 | None | -3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 630 | 13 | 5 | 4 | 4.5 | N=C(N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
176 | 7186 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 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 | 7186 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 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 | 7186 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 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 | 7186 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 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 | 7186 | 66 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
59149264 | 83577 | 0 | None | -85 | 4 | Human | 8.0 | pKi | = | 8.0 | 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 | 83577 | 0 | None | -85 | 4 | Human | 8.0 | pKi | = | 8.0 | 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 | 83577 | 0 | None | -85 | 4 | Human | 8.0 | pKi | = | 8.0 | 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 | 83577 | 0 | None | -85 | 4 | Human | 8.0 | pKi | = | 8.0 | 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 | |||
168277916 | 197456 | 0 | None | -17 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | 197456 | 0 | None | -17 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | |||
168272660 | 197212 | 0 | None | -14 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | 197212 | 0 | None | -14 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | |||
44322869 | 112937 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | 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 | 112937 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7.0 | 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 | |||
44322895 | 170149 | 0 | None | -18 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL419307 | 170149 | 0 | None | -18 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 811 | 21 | 10 | 8 | 1.3 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
168285313 | 198180 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | 198180 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | |||
44433294 | 159822 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | 159822 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
CHEMBL2070254 | 215964 | 0 | None | -31 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | |||||
44397030 | 74143 | 0 | None | -131 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | 74143 | 0 | None | -131 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
6918850 | 132200 | 1 | None | -316 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | 132200 | 1 | None | -316 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
10270570 | 95808 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 95808 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 6 | 2 | 2 | 4.4 | CC(c1ccc2ccccc2c1)N(CCN)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44401592 | 131968 | 0 | None | -4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 607 | 13 | 6 | 4 | 3.2 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL364519 | 131968 | 0 | None | -4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 607 | 13 | 6 | 4 | 3.2 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
46905545 | 17072 | 0 | None | -2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 631 | 14 | 7 | 6 | 1.4 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]cn1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL1161792 | 17072 | 0 | None | -2 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 631 | 14 | 7 | 6 | 1.4 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1c[nH]cn1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44415972 | 86658 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212332 | 86658 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 549 | 13 | 6 | 5 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL5078687 | 221359 | 0 | None | -75 | 3 | Human | 5.9 | pKi | = | 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]([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 | |||||
11845450 | 145247 | 0 | None | -91 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377465 | 145247 | 0 | None | -91 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
51346770 | 65001 | 0 | None | -10 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 65001 | 0 | None | -10 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44413876 | 86519 | 0 | None | -93 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL211699 | 86519 | 0 | None | -93 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
44413876 | 86519 | 0 | None | -93 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | |||
CHEMBL211699 | 86519 | 0 | None | -93 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 710 | 18 | 8 | 7 | 0.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O | 10.1021/jm060384p | |||
CHEMBL2370967 | 216749 | 0 | None | -2 | 2 | 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)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](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 | |||||
44323234 | 174835 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | 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 | 174835 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | 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 | |||
44347331 | 23099 | 0 | None | -181 | 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 | 23099 | 0 | None | -181 | 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 | |||
16007264 | 86495 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | 86495 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | 86495 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | 86495 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
71452732 | 85809 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 85809 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
71461657 | 85814 | 0 | None | -4 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 85814 | 0 | None | -4 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44435220 | 96027 | 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 | 96027 | 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 | |||
10293285 | 96387 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237528 | 96387 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 382 | 7 | 1 | 2 | 4.9 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
10137615 | 96511 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 96511 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434855 | 96805 | 0 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 96805 | 0 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434766 | 161493 | 0 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 161493 | 0 | None | -10 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
59149266 | 83701 | 0 | None | -707 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 83701 | 0 | None | -707 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 83701 | 0 | None | -707 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 83701 | 0 | None | -707 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
168296647 | 199254 | 0 | None | -190 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | 199254 | 0 | None | -190 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | |||
11845813 | 146582 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL379879 | 146582 | 0 | None | -4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 10 | 3 | 4 | 3.0 | NC(N)=NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | 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.2007.11.109 | |||
9938402 | 10579 | 43 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | 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.2007.11.109 | |||
CHEMBL339053 | 10579 | 43 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | 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.2007.11.109 | |||
44413829 | 84841 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL210011 | 84841 | 0 | None | -10 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
25133556 | 195628 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | |||
CHEMBL506762 | 195628 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 | 10.1021/jm800525p | |||
44569175 | 195601 | 0 | None | -32 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | |||
CHEMBL506272 | 195601 | 0 | None | -32 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 2.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 | 10.1021/jm800525p | |||
168277543 | 197454 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | 197454 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | |||
59149255 | 83703 | 0 | None | -50 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | 83703 | 0 | None | -50 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | 83703 | 0 | None | -50 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | 83703 | 0 | None | -50 | 4 | Human | 7.9 | pKi | = | 7.9 | 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 | |||
11993702 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
5416 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
9272 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL3301624 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
DB11700 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
11993702 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
5416 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
9272 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL3301624 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
DB11700 | 10365 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
168276507 | 197044 | 0 | None | -33 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | 197044 | 0 | None | -33 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | |||
44322896 | 174751 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL431801 | 174751 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 789 | 22 | 10 | 7 | 1.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
168293710 | 198945 | 0 | None | -56 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | 198945 | 0 | None | -56 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | 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 | |||
44322958 | 113789 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL315356 | 113789 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 727 | 18 | 9 | 7 | 0.4 | CC(C)(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
122178167 | 128038 | 0 | None | -162 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)C(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.5b00184 | |||
CHEMBL3577996 | 128038 | 0 | None | -162 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 948 | 11 | 10 | 10 | -1.1 | C[C@@H]1NC(=O)C(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.5b00184 | |||
44432932 | 94529 | 0 | None | -38 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 94529 | 0 | None | -38 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
44400863 | 75939 | 0 | None | -288 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | 75939 | 0 | None | -288 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44456219 | 162217 | 0 | None | -275 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 162217 | 0 | None | -275 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
CHEMBL3577979 | 218526 | 0 | None | -8 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=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](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.5b00184 | |||||
16046215 | 86864 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 86864 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 86864 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 86864 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44434843 | 95475 | 0 | None | -3 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 95475 | 0 | None | -3 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434854 | 96804 | 0 | None | -8 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 96804 | 0 | None | -8 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434648 | 154938 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393558 | 154938 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.1 | NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168285101 | 198423 | 0 | None | -190 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | 198423 | 0 | None | -190 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | 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 | |||
CHEMBL5080489 | 221468 | 0 | None | -16 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | |||||
2247 | 7293 | 81 | None | -147 | 42 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
249 | 7293 | 81 | None | -147 | 42 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
2603 | 7293 | 81 | None | -147 | 42 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
CHEMBL296419 | 7293 | 81 | None | -147 | 42 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
DB00637 | 7293 | 81 | None | -147 | 42 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
44401573 | 77973 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 13 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL195638 | 77973 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 568 | 13 | 5 | 4 | 2.8 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL420167 | 220021 | 0 | None | -8 | 3 | Human | 7.9 | pKi | = | 7.9 | 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 | |||||
CHEMBL266417 | 217462 | 0 | None | -8 | 3 | Human | 6.9 | pKi | = | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O | 10.1021/jm010165y | |||||
10260053 | 174982 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | 174982 | 0 | None | 4 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
44322787 | 112741 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL312998 | 112741 | 0 | None | -12 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 791 | 21 | 11 | 8 | 0.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL2370965 | 216747 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | 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@@](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 | |||||
44433439 | 96699 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | 96699 | 0 | None | -165 | 3 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44323212 | 175498 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
CHEMBL436903 | 175498 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 787 | 9 | 10 | 8 | -1.0 | C[C@@H]1NC(=O)CCC(=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)NC1=O | 10.1021/jm020021z | |||
11180881 | 73595 | 1 | None | -93 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 73595 | 1 | None | -93 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44395681 | 73644 | 0 | None | -100 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 73644 | 0 | None | -100 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
44415417 | 86921 | 0 | None | -12 | 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 | 86921 | 0 | None | -12 | 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 | |||
10304463 | 83549 | 0 | None | -14 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 83549 | 0 | None | -14 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
9915636 | 73598 | 0 | None | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 73598 | 0 | None | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 553 | 12 | 3 | 6 | 3.5 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44265715 | 16957 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 16957 | 0 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
10108894 | 96512 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237693 | 96512 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 355 | 8 | 2 | 2 | 4.4 | NCCCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCCCCC1 | 10.1016/j.bmc.2007.06.003 | |||
44434697 | 155472 | 0 | None | -6 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | 155472 | 0 | None | -6 | 4 | Human | 4.9 | pKi | = | 4.9 | 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 | |||
44434757 | 159520 | 0 | None | -7 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 649 | 12 | 2 | 4 | 8.3 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL397324 | 159520 | 0 | None | -7 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 649 | 12 | 2 | 4 | 8.3 | COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC | 10.1016/j.bmc.2007.06.003 | |||
25129105 | 183798 | 0 | None | -23 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | |||
CHEMBL463047 | 183798 | 0 | None | -23 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 | 10.1021/jm800525p | |||
CHEMBL5081077 | 221496 | 0 | None | -30 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | |||||
44401418 | 130794 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 14 | 6 | 4 | 3.3 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL362964 | 130794 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 14 | 6 | 4 | 3.3 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44413913 | 145451 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377779 | 145451 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 672 | 16 | 6 | 7 | 0.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL2370963 | 216745 | 0 | None | -10 | 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 | |||||
162670951 | 189617 | 0 | None | -33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 189617 | 0 | None | -33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162670951 | 189617 | 0 | None | -33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4791306 | 189617 | 0 | None | -33 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1100 | 18 | 14 | 11 | 0.6 | 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](Cc2cccc(-c3ccccc3)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
42630327 | 162650 | 0 | None | -5 | 3 | Human | 7.8 | pKi | = | 7.8 | 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 | 162650 | 0 | None | -5 | 3 | Human | 7.8 | pKi | = | 7.8 | 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 | |||
CHEMBL407809 | 219464 | 0 | None | -56 | 4 | Human | 7.8 | pKi | = | 7.8 | 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 | |||||
CHEMBL409049 | 219524 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | |||||
CHEMBL438235 | 220538 | 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 | |||||
44347219 | 23352 | 0 | None | -301 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | 23352 | 0 | None | -301 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | |||
44347105 | 120123 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 120123 | 0 | None | -13 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44393441 | 73203 | 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 | 73203 | 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 | |||
44434662 | 95289 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235137 | 95289 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.6 | NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434781 | 96679 | 0 | None | -15 | 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 | 96679 | 0 | None | -15 | 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 | |||
5624 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL1203324 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
CHEMBL141343 | 39467 | 14 | None | -45 | 10 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
44413970 | 145793 | 0 | None | -34 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378571 | 145793 | 0 | None | -34 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
44413938 | 145717 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378446 | 145717 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 15 | 4 | 5 | 3.9 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
44569176 | 179324 | 0 | None | -30 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | |||
CHEMBL448410 | 179324 | 0 | None | -30 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.3 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 | 10.1021/jm800525p | |||
11846669 | 87052 | 0 | None | -5 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL213956 | 87052 | 0 | None | -5 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
168271934 | 196864 | 0 | None | -9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | 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 | 196864 | 0 | None | -9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | 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 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | |||||
44322977 | 118346 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL328117 | 118346 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 714 | 18 | 11 | 8 | -1.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
122178169 | 128040 | 0 | None | -31 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 977 | 13 | 10 | 10 | -0.4 | C[C@@H]1NC(=O)C(CCCN)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.5b00184 | |||
CHEMBL3577998 | 128040 | 0 | None | -31 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 977 | 13 | 10 | 10 | -0.4 | C[C@@H]1NC(=O)C(CCCN)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.5b00184 | |||
44577092 | 185424 | 0 | None | -144 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | 185424 | 0 | None | -144 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | |||
CHEMBL427629 | 220136 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | 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]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 | |||||
24873537 | 152839 | 0 | None | -138 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 152839 | 0 | None | -138 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44400661 | 131117 | 0 | None | -512 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.1 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL363641 | 131117 | 0 | None | -512 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.1 | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)c1ccccc1 | 10.1016/j.bmcl.2005.03.053 | |||
70693083 | 83704 | 0 | None | -6 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 83704 | 0 | None | -6 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 83704 | 0 | None | -6 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434636 | 96075 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 96075 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
9946241 | 96207 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237079 | 96207 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.1 | NCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434782 | 96802 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 96802 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44434693 | 174126 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 174126 | 0 | None | -7 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
10211466 | 175679 | 0 | None | -213 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 175679 | 0 | None | -213 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
4189 | 213701 | 96 | None | -54 | 34 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL1559 | 213701 | 96 | None | -54 | 34 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
CHEMBL91 | 213701 | 96 | None | -54 | 34 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
44409257 | 147364 | 0 | None | -67 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 690 | 15 | 7 | 6 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL381357 | 147364 | 0 | None | -67 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 690 | 15 | 7 | 6 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
25133210 | 176236 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | |||
CHEMBL442829 | 176236 | 0 | None | -13 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm800525p | |||
CHEMBL427666 | 220143 | 0 | None | -60 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | |||||
CHEMBL2221249 | 216222 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | 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 | |||||
168273045 | 197033 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | 197033 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | 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 | |||
44415920 | 87146 | 0 | None | -13 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL214410 | 87146 | 0 | None | -13 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 644 | 12 | 4 | 6 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N2CCNCC2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44322959 | 162854 | 0 | None | -8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL406276 | 162854 | 0 | None | -8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 727 | 21 | 9 | 7 | 0.6 | CCCCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
25132864 | 179381 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | |||
CHEMBL449050 | 179381 | 0 | None | -12 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 590 | 12 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC | 10.1021/jm800525p | |||
25058412 | 196219 | 0 | None | -208 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 196219 | 0 | None | -208 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434587 | 96213 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 96213 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434848 | 95743 | 0 | None | -11 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 95743 | 0 | None | -11 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
44434690 | 96081 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 96081 | 0 | None | -19 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44434713 | 96371 | 0 | None | -14 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 96371 | 0 | None | -14 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
10109225 | 161451 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 161451 | 0 | None | -10 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44409240 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL202699 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2005.12.005 | |||
44409240 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL202699 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1016/j.bmcl.2006.05.087 | |||
44409240 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | |||
CHEMBL202699 | 81209 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 736 | 18 | 8 | 7 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/jm060384p | |||
1016 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2561 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
2733526 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
5384 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL83 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
DB00675 | 10519 | 78 | None | -56 | 35 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
CHEMBL5075506 | 221158 | 0 | None | -1348 | 3 | Human | 5.8 | pKi | = | 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](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 | |||||
137658158 | 166496 | 0 | None | -63 | 3 | Human | 4.8 | pKi | = | 4.8 | 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 | 166496 | 0 | None | -63 | 3 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | |||||
24180646 | 154961 | 0 | None | -251 | 8 | Mouse | 6.8 | pKi | = | 6.8 | 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 | 154961 | 0 | None | -251 | 8 | Mouse | 6.8 | pKi | = | 6.8 | 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 | |||
44396002 | 131552 | 0 | None | -43 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | 131552 | 0 | None | -43 | 3 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
11181804 | 135285 | 0 | None | -158 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 135285 | 0 | None | -158 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
23661656 | 175823 | 0 | None | -323 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | 175823 | 0 | None | -323 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44434661 | 95288 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 95288 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44434603 | 96688 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 96688 | 0 | None | -2 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44265496 | 103824 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | 103824 | 0 | None | -13 | 4 | Human | 4.8 | pKi | = | 4.8 | 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 | |||
44409379 | 83297 | 0 | None | -85 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 757 | 19 | 6 | 5 | 4.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(Cl)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL206018 | 83297 | 0 | None | -85 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 757 | 19 | 6 | 5 | 4.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(Cl)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
25132525 | 183504 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | |||
CHEMBL460142 | 183504 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 518 | 8 | 2 | 4 | 2.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O | 10.1021/jm800525p | |||
168270124 | 196734 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | 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 | 196734 | 0 | None | -14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | 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 | |||
CHEMBL407213 | 219427 | 0 | None | -44 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | |||||
44577060 | 194831 | 0 | None | -54 | 8 | Mouse | 6.7 | pKi | = | 6.7 | 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 | 194831 | 0 | None | -54 | 8 | Mouse | 6.7 | pKi | = | 6.7 | 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 | |||
137637711 | 162625 | 0 | None | -74 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 871 | 11 | 14 | 12 | -3.9 | C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 10.1021/acs.jmedchem.7b00856 | |||
CHEMBL4060087 | 162625 | 0 | None | -74 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 871 | 11 | 14 | 12 | -3.9 | C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O | 10.1021/acs.jmedchem.7b00856 | |||
44577091 | 185446 | 0 | None | -56 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | 185446 | 0 | None | -56 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
10408 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | |||||
11490658 | 71717 | 0 | None | -301 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.4 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
CHEMBL182277 | 71717 | 0 | None | -301 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.4 | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3ccccc32)CC1 | 10.1016/j.bmcl.2004.10.096 | |||
CHEMBL88185 | 222675 | 0 | None | -11 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CS(=O)(=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 | 10.1016/s0960-894x(03)00552-3 | |||||
11296732 | 150591 | 0 | None | -43 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 150591 | 0 | None | -43 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
10283036 | 147021 | 0 | None | -331 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 147021 | 0 | None | -331 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
11296732 | 150591 | 0 | None | -43 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 150591 | 0 | None | -43 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 3.1 | NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44434772 | 95372 | 0 | None | -21 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 95372 | 0 | None | -21 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434621 | 153083 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 153083 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
9969456 | 154395 | 0 | None | -11 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393125 | 154395 | 0 | None | -11 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.7 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434845 | 154681 | 0 | None | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 154681 | 0 | None | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
71454518 | 85925 | 0 | None | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 85925 | 0 | None | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
11845444 | 86842 | 0 | None | -11 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL213026 | 86842 | 0 | None | -11 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
137631599 | 163305 | 0 | None | -288 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | 163305 | 0 | None | -288 | 3 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
11847001 | 87003 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL213747 | 87003 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
156010247 | 183851 | 0 | None | -11 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 183851 | 0 | None | -11 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
10408 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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.2c00793 | |||||
5329 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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.2c00793 | |||||
9941379 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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.2c00793 | |||||
CHEMBL2070241 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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.2c00793 | |||||
DB11653 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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.2c00793 | |||||
10408 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | 7507 | 28 | None | -23 | 4 | Human | 6.7 | pKi | = | 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 | |||||
57646411 | 83696 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | 83696 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | 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 | |||
57646441 | 83695 | 0 | None | -20 | 4 | Human | 8.6 | pKi | = | 8.6 | 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 | 83695 | 0 | None | -20 | 4 | Human | 8.6 | pKi | = | 8.6 | 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 | |||
CHEMBL408843 | 219514 | 0 | None | -6 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | |||||
CHEMBL2370533 | 216647 | 0 | None | -9 | 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 | |||||
CHEMBL331259 | 218140 | 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 | |||||
44323029 | 213960 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL92481 | 213960 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 795 | 20 | 10 | 7 | 1.5 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
168284733 | 198403 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | 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 | 198403 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | 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 | |||
CHEMBL3578000 | 218533 | 0 | None | -50 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCNC(=N)N)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.5b00184 | |||||
44577062 | 200153 | 0 | None | -48 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | 200153 | 0 | None | -48 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
11296600 | 129721 | 0 | None | -309 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 129721 | 0 | None | -309 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
10180932 | 96182 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237051 | 96182 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 427 | 11 | 2 | 2 | 5.8 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434695 | 96201 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96201 | 0 | None | -8 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434766 | 161493 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 161493 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
25128749 | 185249 | 0 | None | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | |||
CHEMBL466380 | 185249 | 0 | None | -25 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 3.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O | 10.1021/jm800525p | |||
44416152 | 87873 | 0 | None | -38 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215576 | 87873 | 0 | None | -38 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 11 | 3 | 4 | 2.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
25129109 | 195481 | 0 | None | -34 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | |||
CHEMBL504349 | 195481 | 0 | None | -34 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 603 | 12 | 3 | 5 | 2.8 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC | 10.1021/jm800525p | |||
44322812 | 119159 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL329586 | 119159 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 711 | 19 | 10 | 7 | 0.0 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44434584 | 158721 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396638 | 158721 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 4.9 | NCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 95372 | 0 | None | -21 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 95372 | 0 | None | -21 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96081 | 0 | None | -19 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96081 | 0 | None | -19 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
10291369 | 175701 | 0 | None | -3 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL438672 | 175701 | 0 | None | -3 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 347 | 8 | 2 | 2 | 3.6 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
2726 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
621 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
83 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
CHEMBL71 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
DB00477 | 7706 | 68 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
25132867 | 179277 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | |||
CHEMBL448337 | 179277 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 | 10.1021/jm800525p | |||
44413932 | 144324 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | |||
CHEMBL375440 | 144324 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 570 | 12 | 5 | 5 | 3.1 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1 | 10.1021/jm060384p | |||
CHEMBL2070244 | 215963 | 0 | None | -21 | 4 | Human | 7.7 | pKi | = | 7.7 | 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 | |||||
44577093 | 185425 | 0 | None | -275 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | 185425 | 0 | None | -275 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
11341045 | 72940 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL184275 | 72940 | 0 | None | -123 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 6 | 3 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N/C2CCCCC2)N2CCNCC2)cc1 | 10.1021/jm0400496 | |||
44434760 | 95292 | 0 | None | -7 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 95292 | 0 | None | -7 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434691 | 96200 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96200 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434701 | 96276 | 0 | None | -16 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96276 | 0 | None | -16 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434778 | 96518 | 0 | None | -27 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96518 | 0 | None | -27 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434655 | 96797 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96797 | 0 | None | -6 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
44434855 | 96805 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | 96805 | 0 | None | -10 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
168283984 | 198025 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | 198025 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
44415956 | 148734 | 0 | None | -17 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL387246 | 148734 | 0 | None | -17 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.087 | |||
44415956 | 148734 | 0 | None | -17 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL387246 | 148734 | 0 | None | -17 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 531 | 13 | 6 | 5 | 0.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 | 10.1021/jm060384p | |||
44409103 | 146901 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 628 | 15 | 5 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCN=C(N)N | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL380120 | 146901 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 628 | 15 | 5 | 6 | 2.4 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCCN=C(N)N | 10.1016/j.bmcl.2005.12.005 | |||
168283616 | 198018 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | 198018 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | |||
44323015 | 118210 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL327450 | 118210 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 731 | 20 | 9 | 8 | -0.2 | CSCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
23635107 | 98333 | 0 | None | -81 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98333 | 0 | None | -81 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98333 | 0 | None | -81 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98333 | 0 | None | -81 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
11477853 | 73668 | 0 | None | -63 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
CHEMBL186439 | 73668 | 0 | None | -63 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 7 | 3 | 3 | 5.2 | CNC1CCN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)C1 | 10.1021/jm0400496 | |||
44562414 | 183596 | 0 | None | -95 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 183596 | 0 | None | -95 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 10579 | 43 | None | -75 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 10579 | 43 | None | -75 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44394079 | 133543 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 133543 | 0 | None | -85 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
9867330 | 104617 | 0 | None | -100 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | |||
CHEMBL272099 | 104617 | 0 | None | -100 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 1 | 5 | 3.7 | N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 | 10.1016/j.bmcl.2007.11.109 | |||
44397283 | 73940 | 0 | None | -181 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 73940 | 0 | None | -181 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44434692 | 95300 | 0 | None | -12 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95300 | 0 | None | -12 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434847 | 95732 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95732 | 0 | None | -6 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434778 | 96518 | 0 | None | -27 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96518 | 0 | None | -27 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434765 | 168550 | 0 | None | -20 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 168550 | 0 | None | -20 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
137655905 | 165607 | 0 | None | -64 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | 165607 | 0 | None | -64 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
16007263 | 86571 | 0 | None | -41 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL211975 | 86571 | 0 | None | -41 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 557 | 11 | 4 | 5 | 1.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
24848995 | 124725 | 0 | None | 11 | 3 | Human | 7.6 | pKi | = | 7.6 | 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 | 124725 | 0 | None | 11 | 3 | Human | 7.6 | pKi | = | 7.6 | 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 | |||
CHEMBL263878 | 217377 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||||
44347331 | 23099 | 0 | None | -181 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 23099 | 0 | None | -181 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
24180646 | 154961 | 0 | None | -338 | 8 | Rat | 6.6 | pKi | = | 6.6 | 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 | 154961 | 0 | None | -338 | 8 | Rat | 6.6 | pKi | = | 6.6 | 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 | |||
11237444 | 134243 | 0 | None | -457 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 134243 | 0 | None | -457 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44397304 | 133604 | 0 | None | -199 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 133604 | 0 | None | -199 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44434764 | 95335 | 0 | None | -11 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95335 | 0 | None | -11 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434884 | 95386 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95386 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434689 | 95950 | 0 | None | -19 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95950 | 0 | None | -19 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
10291370 | 152744 | 0 | None | -28 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 152744 | 0 | None | -28 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434762 | 159789 | 0 | None | -13 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 159789 | 0 | None | -13 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44409140 | 148064 | 0 | None | -10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 675 | 16 | 6 | 5 | 3.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL383256 | 148064 | 0 | None | -10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 675 | 16 | 6 | 5 | 3.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
44401386 | 76299 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 593 | 12 | 6 | 4 | 3.6 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL193409 | 76299 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 593 | 12 | 6 | 4 | 3.6 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
137636677 | 162879 | 0 | None | -50 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | 162879 | 0 | None | -50 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
137636965 | 162995 | 0 | None | -23 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | 162995 | 0 | None | -23 | 3 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44409337 | 177240 | 0 | None | -114 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 721 | 19 | 7 | 6 | 3.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL444883 | 177240 | 0 | None | -114 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 721 | 19 | 7 | 6 | 3.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL2370553 | 216649 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | 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 | |||||
CHEMBL3577995 | 218531 | 0 | None | -6 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)CNC(=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.5b00184 | |||||
44401440 | 76895 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL194011 | 76895 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
11341046 | 73654 | 0 | None | -95 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
CHEMBL186339 | 73654 | 0 | None | -95 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 501 | 7 | 4 | 3 | 5.0 | O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(N/C(=N\C2CCNC2)NC2CCCCC2)cc1 | 10.1021/jm0400496 | |||
44562440 | 185820 | 0 | None | -38 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 185820 | 0 | None | -38 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
122178164 | 128036 | 0 | None | -158 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | |||
CHEMBL3577993 | 128036 | 0 | None | -158 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2cccc3ccccc23)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.5b00184 | |||
44434880 | 95385 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95385 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434647 | 96365 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96365 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 10 | 2 | 2 | 5.3 | NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2007.06.003 | |||
44434767 | 96510 | 0 | None | -17 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96510 | 0 | None | -17 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434868 | 156330 | 0 | None | -8 | 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 | 156330 | 0 | None | -8 | 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 | |||
44434762 | 159789 | 0 | None | -13 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 159789 | 0 | None | -13 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434768 | 161494 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 161494 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
11308054 | 140394 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL371365 | 140394 | 0 | None | -8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 618 | 13 | 5 | 4 | 3.9 | N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44413914 | 146296 | 0 | None | -40 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL379508 | 146296 | 0 | None | -40 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
168289457 | 198159 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | 198159 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | |||
44456222 | 104701 | 0 | None | -223 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 104701 | 0 | None | -223 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
44323033 | 113929 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL316259 | 113929 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 747 | 19 | 10 | 7 | 0.9 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44434694 | 95376 | 0 | None | -12 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95376 | 0 | None | -12 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434761 | 95942 | 0 | None | -3 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95942 | 0 | None | -3 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434592 | 96290 | 0 | None | -7 | 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 | 96290 | 0 | None | -7 | 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 | |||
44434682 | 155383 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 155383 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
25131477 | 185480 | 0 | None | -42 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 547 | 10 | 2 | 5 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN(C)C)C1=O | 10.1021/jm800525p | |||
CHEMBL468252 | 185480 | 0 | None | -42 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 547 | 10 | 2 | 5 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN(C)C)C1=O | 10.1021/jm800525p | |||
CHEMBL5075712 | 221173 | 0 | None | -181 | 3 | Human | 6.6 | pKi | = | 6.6 | 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)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 | |||||
57817763 | 83702 | 0 | None | -338 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | 83702 | 0 | None | -338 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | 83702 | 0 | None | -338 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | 83702 | 0 | None | -338 | 4 | Human | 7.6 | pKi | = | 7.6 | 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 | |||
23635237 | 98228 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98228 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98228 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | 98228 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
44401513 | 75937 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 612 | 13 | 5 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL192450 | 75937 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 612 | 13 | 5 | 6 | 2.5 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44434581 | 173830 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 173830 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 395 | 7 | 2 | 2 | 5.2 | NCCN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC2(CCCCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44434772 | 95372 | 0 | None | -21 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95372 | 0 | None | -21 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434683 | 96078 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96078 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434769 | 96514 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96514 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434650 | 96674 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96674 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434651 | 96675 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96675 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434654 | 96796 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 96796 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434863 | 154923 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 154923 | 0 | None | -10 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 417 | 9 | 2 | 2 | 5.3 | NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
168282596 | 197685 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 197685 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
168281389 | 197701 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | 197701 | 0 | None | -7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | 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 | |||
44323233 | 113493 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
CHEMBL314401 | 113493 | 0 | None | -4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 901 | 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)c2ccccc2C(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm020021z | |||
44322986 | 112874 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL313377 | 112874 | 0 | None | -7 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 713 | 19 | 9 | 7 | 0.1 | CC(C)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 | 10.1016/s0960-894x(03)00552-3 | |||
11249545 | 72978 | 0 | None | -478 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 72978 | 0 | None | -478 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 73460 | 0 | None | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 73460 | 0 | None | -134 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
24740653 | 95367 | 0 | None | -758 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | 95367 | 0 | None | -758 | 3 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44265707 | 16956 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 16956 | 0 | None | -4 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434759 | 95291 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | 95291 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | 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 | |||
44434688 | 95948 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236640 | 95948 | 0 | None | -8 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.4 | NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168286369 | 198491 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 198491 | 0 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
137640703 | 163876 | 0 | None | -218 | 3 | Human | 4.6 | pKi | = | 4.6 | 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)[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 | 163876 | 0 | None | -218 | 3 | Human | 4.6 | pKi | = | 4.6 | 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)[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 | |||
25133209 | 180130 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | |||
CHEMBL452710 | 180130 | 0 | None | -56 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 589 | 12 | 3 | 5 | 2.4 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC | 10.1021/jm800525p | |||
25128748 | 196770 | 0 | None | -28 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | |||
CHEMBL517108 | 196770 | 0 | None | -28 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 2.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C)C1=O | 10.1021/jm800525p | |||
CHEMBL50056 | 220898 | 2 | None | -41 | 3 | Human | 5.5 | pKi | = | 5.5 | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm060384p | |||||
11845630 | 146292 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL379490 | 146292 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
11846673 | 86769 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL212766 | 86769 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 515 | 11 | 3 | 4 | 3.1 | CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
44347220 | 175219 | 0 | None | -112 | 3 | Human | 7.5 | pKi | = | 7.5 | 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 | 175219 | 0 | None | -112 | 3 | Human | 7.5 | pKi | = | 7.5 | 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 | |||
CHEMBL268851 | 217548 | 0 | None | -33 | 3 | Human | 7.5 | pKi | = | 7.5 | 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 | |||||
44347378 | 121212 | 0 | None | -6 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 121212 | 0 | None | -6 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434772 | 95372 | 0 | None | -21 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 95372 | 0 | None | -21 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
9968756 | 96284 | 0 | None | -18 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237299 | 96284 | 0 | None | -18 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 358 | 5 | 1 | 2 | 3.7 | NCCN(C(=O)Cc1ccc2ccccc2c1)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44434870 | 154927 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 154927 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44413842 | 145155 | 0 | None | -18 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377210 | 145155 | 0 | None | -18 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL103817 | 215238 | 0 | None | -52 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | 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 | |||||
168278271 | 197894 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | 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 | 197894 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | 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 | |||
6918276 | 22383 | 7 | None | -309 | 8 | Human | 5.5 | pKi | = | 5.5 | 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 | 22383 | 7 | None | -309 | 8 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
CHEMBL415661 | 219977 | 0 | None | -21 | 4 | Human | 8.5 | pKi | = | 8.5 | 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 | |||||
162643435 | 188446 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4776340 | 188446 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162643435 | 188446 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4776340 | 188446 | 0 | None | -4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3cccc4ccccc34)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
44416057 | 87966 | 0 | None | -3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215833 | 87966 | 0 | None | -3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 745 | 17 | 6 | 7 | 0.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
162643518 | 188490 | 0 | None | -89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
CHEMBL4776915 | 188490 | 0 | None | -89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
162643518 | 188490 | 0 | None | -89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
CHEMBL4776915 | 188490 | 0 | None | -89 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1075 | 17 | 15 | 12 | -1.3 | CC(=O)N[C@H](CCCN)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.0c01620 | |||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | |||||
168271899 | 197380 | 0 | None | -4 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | 197380 | 0 | None | -4 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | |||
168271237 | 197267 | 0 | None | -10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | 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 | 197267 | 0 | None | -10 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | 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 | |||
44347379 | 121213 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 121213 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44347106 | 121838 | 0 | None | -52 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 121838 | 0 | None | -52 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434872 | 95339 | 0 | None | -9 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 95339 | 0 | None | -9 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 389 | 7 | 2 | 2 | 4.8 | NC1CCCC(N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 | 10.1016/j.bmc.2007.06.003 | |||
44434634 | 96074 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96074 | 0 | None | -16 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44434597 | 96388 | 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 | 96388 | 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 | |||
CHEMBL5080784 | 221485 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | |||||
25132866 | 179390 | 0 | None | -77 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | |||
CHEMBL449131 | 179390 | 0 | None | -77 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 623 | 11 | 2 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 | 10.1021/jm800525p | |||
162672691 | 189980 | 0 | None | -57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4795842 | 189980 | 0 | None | -57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162672691 | 189980 | 0 | None | -57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4795842 | 189980 | 0 | None | -57 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2cccc(-c3cccc4ccccc34)c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
44562287 | 181027 | 0 | None | -331 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 181027 | 0 | None | -331 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
25211670 | 181039 | 0 | None | -323 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 181039 | 0 | None | -323 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 196044 | 0 | None | -954 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 196044 | 0 | None | -954 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434690 | 96081 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96081 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44434713 | 96371 | 0 | None | -14 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96371 | 0 | None | -14 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96805 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96805 | 0 | None | -10 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44434859 | 96809 | 0 | None | -17 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96809 | 0 | None | -17 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44265487 | 104158 | 0 | None | -1 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269689 | 104158 | 0 | None | -1 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 256 | 6 | 4 | 2 | 1.8 | N=C(N)NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL412494 | 219776 | 0 | None | -125 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
3198 | 212292 | 76 | None | -75 | 34 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 212292 | 76 | None | -75 | 34 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 212292 | 76 | None | -75 | 34 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL5077811 | 221295 | 0 | None | -56 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||||
44320339 | 212902 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL85918 | 212902 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 410 | 9 | 1 | 2 | 6.0 | NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
11845440 | 145450 | 0 | None | -26 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | |||
CHEMBL377778 | 145450 | 0 | None | -26 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.7 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1 | 10.1021/jm060384p | |||
24741624 | 145158 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | 145158 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | 145158 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | 145158 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
44397281 | 133322 | 0 | None | -288 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 133322 | 0 | None | -288 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434633 | 95945 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 95945 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
25129107 | 180556 | 0 | None | -36 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | |||
CHEMBL453734 | 180556 | 0 | None | -36 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 603 | 11 | 3 | 5 | 2.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N | 10.1021/jm800525p | |||
137660993 | 166226 | 0 | None | -83 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | 166226 | 0 | None | -83 | 3 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
11156852 | 72459 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | 72459 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | 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 | |||
CHEMBL408257 | 219483 | 0 | None | -77 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
24740419 | 154973 | 0 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 154973 | 0 | None | -1318 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44434690 | 96081 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 96081 | 0 | None | -19 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44434862 | 97023 | 0 | None | -20 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | 97023 | 0 | None | -20 | 4 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
10225762 | 152595 | 0 | None | -4 | 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 | 152595 | 0 | None | -4 | 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 | |||
44434601 | 153246 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392223 | 153246 | 0 | None | -13 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 358 | 8 | 1 | 2 | 4.3 | NCCCN(C/C=C/c1ccccc1)C(=O)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44265374 | 213267 | 0 | None | -21 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8825 | 213267 | 0 | None | -21 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 454 | 10 | 2 | 2 | 6.4 | O=C(O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
44577060 | 194831 | 0 | None | -97 | 8 | Rat | 6.5 | pKi | = | 6.5 | 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 | 194831 | 0 | None | -97 | 8 | Rat | 6.5 | pKi | = | 6.5 | 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 | |||
24180592 | 103788 | 0 | None | -100 | 6 | Mouse | 6.5 | pKi | = | 6.5 | 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 | 103788 | 0 | None | -100 | 6 | Mouse | 6.5 | pKi | = | 6.5 | 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 | |||
CHEMBL2370966 | 216748 | 0 | None | -28 | 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@@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 | |||||
10232787 | 147159 | 0 | None | -467 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 147159 | 0 | None | -467 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
44415918 | 148327 | 0 | None | -17 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL384774 | 148327 | 0 | None | -17 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 754 | 16 | 6 | 7 | 0.9 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
168295726 | 199184 | 0 | None | -56 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | 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 | 199184 | 0 | None | -56 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | 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 | |||
44322923 | 213325 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL88630 | 213325 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 710 | 19 | 10 | 8 | -0.5 | N#CCC(=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]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
11375764 | 73463 | 0 | None | -1659 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | 73463 | 0 | None | -1659 | 3 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
24882666 | 102493 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 10 | 5 | 3 | 1.7 | N=C(N)NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.109 | |||
CHEMBL258295 | 102493 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 10 | 5 | 3 | 1.7 | N=C(N)NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.109 | |||
44393450 | 130432 | 0 | None | 1 | 3 | Human | 4.5 | pKi | = | 4.5 | 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 | 130432 | 0 | None | 1 | 3 | Human | 4.5 | pKi | = | 4.5 | 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 | |||
44416060 | 88093 | 0 | None | -58 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL215895 | 88093 | 0 | None | -58 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 734 | 13 | 5 | 6 | 2.2 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2Cc3ccccc3CN2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
10325955 | 172050 | 0 | None | -33 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 172050 | 0 | None | -33 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
11786860 | 73108 | 1 | None | -281 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 73108 | 1 | None | -281 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434685 | 95946 | 0 | None | -17 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 95946 | 0 | None | -17 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
44434652 | 96676 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 96676 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
168289584 | 198565 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 198565 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
168294114 | 198969 | 0 | None | -16 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | 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 | 198969 | 0 | None | -16 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | 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 | |||
44323211 | 113795 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[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 | |||
CHEMBL315397 | 113795 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 768 | 7 | 9 | 8 | -0.1 | C[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 | |||
44434666 | 95334 | 0 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL235356 | 95334 | 0 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 5.8 | NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
44265672 | 16953 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 16953 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
44434754 | 97011 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 97011 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
10292084 | 155174 | 0 | None | -15 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393755 | 155174 | 0 | None | -15 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 3.4 | NCCCN(C(=O)Cc1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
25133208 | 178773 | 0 | None | -34 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | |||
CHEMBL447117 | 178773 | 0 | None | -34 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 615 | 11 | 3 | 5 | 3.1 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 | 10.1021/jm800525p | |||
168281969 | 198057 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 198057 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
44322994 | 113774 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL315258 | 113774 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 715 | 20 | 9 | 8 | -1.0 | COCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
44577063 | 194879 | 0 | None | -70 | 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 | 194879 | 0 | None | -70 | 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 | |||
CHEMBL5090670 | 222056 | 0 | None | -37 | 3 | Human | 6.4 | pKi | = | 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]([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 | |||||
44434616 | 95470 | 0 | None | -2 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | 95470 | 0 | None | -2 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 377 | 10 | 2 | 2 | 4.8 | CCC(c1ccccc1)N(CCCCN)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10159196 | 96513 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 96513 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 421 | 11 | 2 | 4 | 4.4 | NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434635 | 175666 | 0 | None | -3 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL438334 | 175666 | 0 | None | -3 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 363 | 10 | 2 | 2 | 4.3 | NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44409206 | 146962 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 567 | 13 | 4 | 4 | 4.8 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL380437 | 146962 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 567 | 13 | 4 | 4 | 4.8 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](CC[C@H]1Cc2ccccc2CN1)Cc1ccccc1 | 10.1016/j.bmcl.2005.12.005 | |||
11847312 | 86537 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL211798 | 86537 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 613 | 12 | 6 | 6 | 1.8 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL5077095 | 221258 | 0 | None | -346 | 3 | Human | 6.4 | pKi | = | 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]([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 | |||||
CHEMBL5090285 | 222032 | 0 | None | -138 | 3 | Human | 6.4 | pKi | = | 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]([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 | |||||
137646617 | 164323 | 0 | None | -8 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | 164323 | 0 | None | -8 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
46877881 | 208597 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | 208597 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
44400813 | 77861 | 0 | None | -134 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | 77861 | 0 | None | -134 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
9958649 | 131135 | 0 | None | -354 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | 131135 | 0 | None | -354 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
156015336 | 184298 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 184298 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434658 | 97010 | 0 | None | -3 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238342 | 97010 | 0 | None | -3 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44434714 | 155171 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 155171 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
137660671 | 165997 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | 165997 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
168290510 | 198676 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | 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 | 198676 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | 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 | |||
CHEMBL5085972 | 221782 | 0 | None | -20 | 3 | Human | 5.4 | pKi | = | 5.4 | 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]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL385556 | 219133 | 0 | None | -173 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
CHEMBL3577981 | 218528 | 1 | None | -31 | 3 | Mouse | 6.4 | pKi | = | 6.4 | 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.5b00184 | |||||
10077773 | 94042 | 4 | None | -204 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | 94042 | 4 | None | -204 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
44434850 | 95949 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 95949 | 0 | None | -10 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 461 | 9 | 2 | 2 | 6.3 | NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 | 10.1016/j.bmc.2007.06.003 | |||
11845276 | 86828 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL212976 | 86828 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 605 | 14 | 4 | 4 | 4.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1 | 10.1021/jm060384p | |||
CHEMBL5076315 | 221207 | 0 | None | -51 | 3 | Human | 6.4 | pKi | = | 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](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 | |||||
168281969 | 198057 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 198057 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
44434657 | 97009 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL238341 | 97009 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 10 | 2 | 3 | 3.9 | NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1 | 10.1016/j.bmc.2007.06.003 | |||
44415991 | 87285 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL214770 | 87285 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44415991 | 87285 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1021/jm800525p | |||
CHEMBL214770 | 87285 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 519 | 9 | 3 | 5 | 1.6 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCN)C1=O | 10.1021/jm800525p | |||
44413831 | 84839 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL210008 | 84839 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
57817773 | 83700 | 0 | None | -245 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 83700 | 0 | None | -245 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 83700 | 0 | None | -245 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | 83700 | 0 | None | -245 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
44413930 | 145426 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL377620 | 145426 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL433645 | 220422 | 0 | None | -104 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | |||||
23635235 | 173280 | 0 | None | -177 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | 173280 | 0 | None | -177 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
44410803 | 146950 | 0 | None | -398 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 146950 | 0 | None | -398 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434687 | 166271 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 166271 | 0 | None | -8 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
11846844 | 146857 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL380051 | 146857 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 678 | 15 | 5 | 6 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
137653925 | 165386 | 0 | None | -18 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | 165386 | 0 | None | -18 | 3 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
25128751 | 180363 | 0 | None | -11 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | |||
CHEMBL453300 | 180363 | 0 | None | -11 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 629 | 11 | 2 | 6 | 4.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 | 10.1021/jm800525p | |||
CHEMBL438030 | 220523 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | 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 | |||||
44434855 | 96805 | 0 | None | -10 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 96805 | 0 | None | -10 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434684 | 153377 | 0 | None | -12 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL392315 | 153377 | 0 | None | -12 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 391 | 12 | 2 | 2 | 5.0 | NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434665 | 154727 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 154727 | 0 | None | -1 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
25133207 | 179722 | 0 | None | -16 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | |||
CHEMBL451694 | 179722 | 0 | None | -16 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 2.7 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 | 10.1021/jm800525p | |||
11845438 | 144401 | 0 | None | -10 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL375775 | 144401 | 0 | None | -10 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 661 | 12 | 6 | 6 | 2.4 | N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
44323034 | 213309 | 0 | None | -12 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL88537 | 213309 | 0 | None | -12 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 729 | 21 | 11 | 8 | -0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL91957 | 222684 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||||
10257541 | 133120 | 0 | None | -269 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 133120 | 0 | None | -269 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44434851 | 96684 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 96684 | 0 | None | -16 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
10155513 | 158320 | 0 | None | -4 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 158320 | 0 | None | -4 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
CHEMBL2070242 | 215962 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | 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 | |||||
44400810 | 130838 | 0 | None | -316 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 5.4 | CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL363190 | 130838 | 0 | None | -316 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 601 | 11 | 3 | 5 | 5.4 | CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL2070373 | 215965 | 0 | None | -57 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | |||||
44434562 | 95473 | 0 | None | -562 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | 95473 | 0 | None | -562 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
44577094 | 185426 | 0 | None | -134 | 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 | 185426 | 0 | None | -134 | 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 | |||
1338 | 10579 | 43 | None | -75 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 10579 | 43 | None | -75 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 10579 | 43 | None | -75 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44432964 | 94228 | 0 | None | -1148 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | 94228 | 0 | None | -1148 | 3 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
44453903 | 162203 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 9 | 2 | 5 | 2.7 | N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 | 10.1016/j.bmcl.2007.11.109 | |||
CHEMBL403722 | 162203 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 387 | 9 | 2 | 5 | 2.7 | N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 | 10.1016/j.bmcl.2007.11.109 | |||
44434865 | 95525 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 95525 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
44434690 | 96680 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 96680 | 0 | None | -14 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | |||
44434849 | 153634 | 0 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | 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 | 153634 | 0 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 411 | 9 | 2 | 2 | 5.2 | NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 | 10.1016/j.bmc.2007.06.003 | |||
44434614 | 158363 | 1 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396341 | 158363 | 1 | None | -2 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.9 | NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265472 | 213134 | 0 | None | -3 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8742 | 213134 | 0 | None | -3 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 245 | 6 | 5 | 2 | 1.1 | N=C(N)NCCCNCc1c[nH]c2ccccc12 | 10.1016/s0960-894x(02)00088-4 | |||
51346771 | 65000 | 0 | None | -13 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 65000 | 0 | None | -13 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
16132144 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | 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/jm201489a | |||||
16133793 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | 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/jm201489a | |||||
44273719 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | 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/jm201489a | |||||
CHEMBL214332 | 216058 | 36 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | 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/jm201489a | |||||
44410802 | 147163 | 0 | None | -263 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 147163 | 0 | None | -263 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44434686 | 153378 | 0 | None | -15 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 153378 | 0 | None | -15 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44434698 | 177804 | 0 | None | -16 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 177804 | 0 | None | -16 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44416122 | 86903 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 576 | 11 | 4 | 5 | 1.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL213284 | 86903 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 576 | 11 | 4 | 5 | 1.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44409104 | 83300 | 0 | None | -36 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 12 | 5 | 5 | 2.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL206033 | 83300 | 0 | None | -36 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 12 | 5 | 5 | 2.9 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 | 10.1016/j.bmcl.2005.12.005 | |||
44347221 | 23407 | 0 | None | -53 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | 23407 | 0 | None | -53 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||
44416135 | 86959 | 0 | None | -42 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL213566 | 86959 | 0 | None | -42 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44416135 | 86959 | 0 | None | -42 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1021/jm800525p | |||
CHEMBL213566 | 86959 | 0 | None | -42 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 561 | 10 | 5 | 5 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(=N)N)C1=O | 10.1021/jm800525p | |||
44434663 | 95290 | 0 | None | -23 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 95290 | 0 | None | -23 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44434637 | 96187 | 0 | None | -5 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237052 | 96187 | 0 | None | -5 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 377 | 11 | 2 | 2 | 4.3 | NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
25129108 | 179475 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | |||
CHEMBL450236 | 179475 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 629 | 11 | 3 | 5 | 3.5 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 | 10.1021/jm800525p | |||
CHEMBL5091236 | 222078 | 0 | None | -602 | 3 | Human | 6.3 | pKi | = | 6.3 | 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 | |||||
CHEMBL441760 | 220675 | 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 | |||||
44265751 | 112875 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL313379 | 112875 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44434611 | 95389 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 95389 | 0 | None | -7 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 373 | 6 | 2 | 2 | 3.9 | NCCCN(C(=O)/C=C/c1c[nH]c2ccccc12)C1CCc2ccccc2C1 | 10.1016/j.bmc.2007.06.003 | |||
44401392 | 75432 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 582 | 14 | 5 | 4 | 3.1 | N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL191975 | 75432 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 582 | 14 | 5 | 4 | 3.1 | N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44577060 | 194831 | 0 | None | -141 | 8 | Human | 6.3 | pKi | = | 6.3 | 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 | 194831 | 0 | None | -141 | 8 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
44434580 | 158682 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 335 | 8 | 2 | 2 | 3.5 | NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL396598 | 158682 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 335 | 8 | 2 | 2 | 3.5 | NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168281421 | 197736 | 0 | None | -89 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | 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 | 197736 | 0 | None | -89 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | 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 | |||
168284256 | 197725 | 0 | None | -14 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | 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 | 197725 | 0 | None | -14 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | 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 | |||
CHEMBL409636 | 219552 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 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)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 | |||||
44322868 | 112785 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | 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 | 112785 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | 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 | |||
CHEMBL253364 | 217288 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm070461w | |||||
44413931 | 84790 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL209789 | 84790 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 16 | 5 | 6 | 1.9 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL5087839 | 221899 | 0 | None | -69 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
71458055 | 85803 | 0 | None | 7 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 85803 | 0 | None | 7 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
16038315 | 145536 | 0 | None | -741 | 3 | Human | 5.3 | pKi | = | 5.3 | 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 | 145536 | 0 | None | -741 | 3 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44434839 | 95428 | 0 | None | -4 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | 95428 | 0 | None | -4 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
10157774 | 96076 | 0 | None | -33 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236842 | 96076 | 0 | None | -33 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 399 | 9 | 2 | 2 | 5.0 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434861 | 97022 | 0 | None | -11 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 97022 | 0 | None | -11 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44413881 | 144371 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL375559 | 144371 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 707 | 15 | 6 | 7 | 1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
44265751 | 112875 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL313379 | 112875 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 12 | 7 | 4 | 0.3 | N=C(N)NCCCNC(=O)[C@H](CCCN=C(N)N)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL5091245 | 222079 | 0 | None | -120 | 3 | Human | 5.3 | pKi | = | 5.3 | 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 | |||||
10025669 | 104167 | 0 | None | -79 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
CHEMBL269776 | 104167 | 0 | None | -79 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1021/jm020945m | |||
168276294 | 197287 | 0 | None | -23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | 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 | 197287 | 0 | None | -23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | 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 | |||
CHEMBL5087859 | 221902 | 0 | None | -741 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
44434570 | 96554 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | 96554 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44434754 | 97011 | 0 | None | -14 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 97011 | 0 | None | -14 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44393417 | 103366 | 0 | None | -13 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 103366 | 0 | None | -13 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44434770 | 95336 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 95336 | 0 | None | -29 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44434857 | 161206 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 161206 | 0 | None | -8 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 475 | 13 | 2 | 4 | 3.9 | NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmc.2007.06.003 | |||
71461662 | 85891 | 0 | None | -4 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 85891 | 0 | None | -4 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44401607 | 140395 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 635 | 15 | 6 | 4 | 3.7 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL371366 | 140395 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 635 | 15 | 6 | 4 | 3.7 | N=C(N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44413828 | 146071 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL379168 | 146071 | 0 | None | -5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
10408 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
44265711 | 213768 | 0 | None | -3 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9138 | 213768 | 0 | None | -3 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
23653113 | 95427 | 0 | None | -4 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 95427 | 0 | None | -4 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
137659790 | 166101 | 0 | None | -102 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | 166101 | 0 | None | -102 | 3 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44347840 | 168703 | 0 | None | -17 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | 168703 | 0 | None | -17 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | 168703 | 0 | None | -17 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||
44322788 | 164162 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL407825 | 164162 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 699 | 19 | 9 | 7 | -0.2 | CCC(=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 | 10.1016/s0960-894x(03)00552-3 | |||
44322957 | 212990 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL86573 | 212990 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 753 | 19 | 10 | 7 | 0.6 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44432966 | 153079 | 0 | None | -562 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 153079 | 0 | None | -562 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
44434649 | 152590 | 0 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 453 | 12 | 2 | 2 | 6.4 | NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL391705 | 152590 | 0 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 453 | 12 | 2 | 2 | 6.4 | NCCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434653 | 152593 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 152593 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44434787 | 155571 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 155571 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
CHEMBL264352 | 217396 | 0 | None | -104 | 4 | Human | 7.3 | pKi | = | 7.3 | 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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
44434696 | 155977 | 0 | None | -54 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 155977 | 0 | None | -54 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | |||
44409339 | 81771 | 0 | None | -1479 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 723 | 19 | 6 | 5 | 3.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccccc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL203252 | 81771 | 0 | None | -1479 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 723 | 19 | 6 | 5 | 3.7 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccccc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
44347119 | 121200 | 0 | None | -151 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | 121200 | 0 | None | -151 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | |||
CHEMBL322610 | 218013 | 0 | None | - | 1 | Mouse | 7.3 | pKi | = | 7.3 | Binding | 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 | |||||
CHEMBL267900 | 217516 | 0 | None | -144 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=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](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
44400934 | 77388 | 0 | None | -281 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | 77388 | 0 | None | -281 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
44393418 | 162479 | 0 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 162479 | 0 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
44265749 | 214001 | 0 | None | -6 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL9274 | 214001 | 0 | None | -6 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 343 | 6 | 3 | 2 | 3.5 | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
10025669 | 104167 | 0 | None | -79 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269776 | 104167 | 0 | None | -79 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 429 | 11 | 5 | 4 | 3.0 | NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
44400660 | 77505 | 0 | None | -239 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 77505 | 0 | None | -239 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44577090 | 185445 | 0 | None | -57 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 185445 | 0 | None | -57 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44434598 | 96591 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237743 | 96591 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 349 | 9 | 2 | 2 | 3.5 | NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434867 | 95298 | 0 | None | -26 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 95298 | 0 | None | -26 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44434790 | 97014 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | 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 | 97014 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44265309 | 212441 | 1 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8201 | 212441 | 1 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 214 | 5 | 2 | 2 | 2.3 | NCCCNCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
44400814 | 77396 | 0 | None | -446 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 627 | 11 | 3 | 5 | 5.9 | O=C(NC1CCCC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL194990 | 77396 | 0 | None | -446 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 627 | 11 | 3 | 5 | 5.9 | O=C(NC1CCCC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44322987 | 103507 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL264306 | 103507 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 713 | 20 | 9 | 7 | 0.2 | 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(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
10158674 | 154693 | 0 | None | -7 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393359 | 154693 | 0 | None | -7 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 413 | 10 | 2 | 2 | 5.4 | NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44265347 | 103742 | 0 | None | -2 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL266305 | 103742 | 0 | None | -2 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 426 | 10 | 4 | 4 | 3.3 | NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
23635235 | 173280 | 0 | None | -177 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | 173280 | 0 | None | -177 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44347110 | 120886 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | 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 | 120886 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44347082 | 170687 | 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 | |||
CHEMBL420727 | 170687 | 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 | |||
44347330 | 174842 | 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 | 174842 | 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 | |||
44347081 | 175406 | 0 | None | -4 | 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 | |||
CHEMBL436169 | 175406 | 0 | None | -4 | 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 | |||
44434864 | 97024 | 0 | None | -21 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 97024 | 0 | None | -21 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
2852098 | 212243 | 13 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL8045 | 212243 | 13 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 300 | 5 | 2 | 1 | 4.7 | c1ccc2cc(CNCCc3c[nH]c4ccccc34)ccc2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL439128 | 220604 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | 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)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 | |||||
CHEMBL412523 | 219779 | 0 | None | -22 | 4 | Human | 8.2 | pKi | = | 8.2 | 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 | |||||
44434639 | 154936 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL393557 | 154936 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 405 | 13 | 2 | 2 | 5.1 | NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44416014 | 86790 | 0 | None | -16 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL212855 | 86790 | 0 | None | -16 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 10 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44409338 | 175523 | 0 | None | -1230 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 739 | 19 | 7 | 6 | 3.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
CHEMBL437132 | 175523 | 0 | None | -1230 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 739 | 19 | 7 | 6 | 3.4 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(O)cc1)NC(C)=O)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.12.005 | |||
44434778 | 96518 | 0 | None | -27 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 96518 | 0 | None | -27 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44434853 | 103979 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 8 | 2 | 2 | 5.3 | N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL268395 | 103979 | 0 | None | -5 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 8 | 2 | 2 | 5.3 | N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
11215758 | 72853 | 0 | None | -131 | 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 | 72853 | 0 | None | -131 | 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 | |||
44322924 | 113889 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL316038 | 113889 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 701 | 19 | 11 | 8 | -1.4 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL3577977 | 218524 | 0 | None | -3 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3577978 | 218525 | 0 | None | -10 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
CHEMBL3577982 | 218529 | 0 | None | -3 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(-c3ccccc3)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.5b00184 | |||||
10177247 | 96289 | 0 | None | -5 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237314 | 96289 | 0 | None | -5 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 371 | 7 | 2 | 2 | 4.2 | NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
10200110 | 96508 | 0 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL237687 | 96508 | 0 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 385 | 8 | 2 | 2 | 4.6 | NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44434605 | 156293 | 0 | None | -9 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 156293 | 0 | None | -9 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 356 | 10 | 1 | 3 | 4.4 | C/C(=C\c1ccccc1)CN(CCCN)C(=O)CCCc1cccs1 | 10.1016/j.bmc.2007.06.003 | |||
168277258 | 197489 | 0 | None | -109 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | 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 | 197489 | 0 | None | -109 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | 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 | |||
6918814 | 133835 | 1 | None | -134 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL365597 | 133835 | 1 | None | -134 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44433264 | 96126 | 0 | None | -144 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 96126 | 0 | None | -144 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
6918814 | 133835 | 1 | None | -134 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 133835 | 1 | None | -134 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 587 | 12 | 3 | 6 | 4.1 | NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1021/jm049278i | |||
44265639 | 16951 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 16951 | 0 | None | -5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 4 | 3 | 4.1 | NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
44434854 | 96804 | 0 | None | -8 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 96804 | 0 | None | -8 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44323031 | 174857 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL432565 | 174857 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 775 | 21 | 10 | 7 | 1.2 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44397028 | 130809 | 0 | None | -85 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 130809 | 0 | None | -85 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44392514 | 130645 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 130645 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 95295 | 0 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | 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 | 95295 | 0 | None | -4 | 3 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44434600 | 155381 | 0 | None | -5 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 155381 | 0 | None | -5 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44434771 | 155569 | 0 | None | -30 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 155569 | 0 | None | -30 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
44434572 | 173371 | 0 | None | -11 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 395 | 9 | 2 | 2 | 4.6 | NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL428022 | 173371 | 0 | None | -11 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 395 | 9 | 2 | 2 | 4.6 | NCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
44401367 | 168498 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 602 | 13 | 5 | 4 | 3.4 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL413565 | 168498 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 602 | 13 | 5 | 4 | 3.4 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44323032 | 213383 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
CHEMBL89004 | 213383 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 761 | 20 | 10 | 7 | 0.8 | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||
44434855 | 96805 | 0 | None | -10 | 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 | 96805 | 0 | None | -10 | 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 | |||
57817730 | 83698 | 0 | None | -338 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | 83698 | 0 | None | -338 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | 83698 | 0 | None | -338 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | 83698 | 0 | None | -338 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | |||
44400935 | 77637 | 0 | None | -446 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 77637 | 0 | None | -446 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44434632 | 153087 | 0 | None | -8 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | 153087 | 0 | None | -8 | 4 | Human | 4.2 | pKi | = | 4.2 | 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 | |||
CHEMBL410168 | 219583 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | 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 | |||||
44393421 | 129881 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 129881 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
70684954 | 84594 | 0 | None | -7 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL2092821 | 84594 | 0 | None | -7 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 383 | 5 | 2 | 2 | 4.6 | O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12 | 10.1016/s0960-894x(02)00089-6 | |||
9924916 | 95784 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL236447 | 95784 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 357 | 6 | 2 | 2 | 3.9 | NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 | 10.1016/j.bmc.2007.06.003 | |||
168279695 | 197914 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | 197914 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | |||
1334 | 8283 | 7 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
16133814 | 8283 | 7 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
CHEMBL437050 | 8283 | 7 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | |||||
44401581 | 75405 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 13 | 5 | 4 | 3.4 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL191794 | 75405 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 13 | 5 | 4 | 3.4 | N=C(N)NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44416106 | 148224 | 0 | None | -5 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL384176 | 148224 | 0 | None | -5 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 617 | 12 | 4 | 5 | 1.5 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(C)=O)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
44323020 | 175775 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | 175775 | 0 | None | 7 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
CHEMBL2373515 | 217158 | 0 | None | -15 | 3 | Human | 8.1 | pKi | = | 8.1 | 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(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[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/jm0501432 | |||||
11226756 | 126752 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | 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 | 126752 | 0 | None | -114 | 3 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
6918857 | 145487 | 1 | None | -239 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 145487 | 1 | None | -239 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44413880 | 84721 | 0 | None | -46 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | |||
CHEMBL209587 | 84721 | 0 | None | -46 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 639 | 14 | 6 | 7 | 0.7 | NC(N)=NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c[nH]cn1 | 10.1021/jm060384p | |||
44401587 | 17073 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 611 | 15 | 6 | 5 | 2.6 | N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1CN)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL1161794 | 17073 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 611 | 15 | 6 | 5 | 2.6 | N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1CN)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL5094215 | 222260 | 0 | None | -60 | 3 | Human | 6.2 | pKi | = | 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 | |||||
CHEMBL2070374 | 215966 | 0 | None | -123 | 4 | Human | 7.2 | pKi | = | 7.2 | 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 | |||||
23635236 | 98376 | 0 | None | -123 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 98376 | 0 | None | -123 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
23635236 | 98376 | 0 | None | -123 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 98376 | 0 | None | -123 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
24180592 | 103788 | 0 | None | -208 | 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 | 103788 | 0 | None | -208 | 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 | |||
44397198 | 73539 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | 73539 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
44434690 | 96081 | 0 | None | -19 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | 96081 | 0 | None | -19 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44413832 | 84840 | 0 | None | -4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL210009 | 84840 | 0 | None | -4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
11845804 | 86333 | 0 | None | -1548 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL211419 | 86333 | 0 | None | -1548 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 652 | 15 | 5 | 6 | 2.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
25133907 | 183503 | 0 | None | -9 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL460138 | 183503 | 0 | None | -9 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 3.0 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
1338 | 10579 | 43 | None | -75 | 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.2005.03.120 | |||
9938402 | 10579 | 43 | None | -75 | 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.2005.03.120 | |||
CHEMBL339053 | 10579 | 43 | None | -75 | 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.2005.03.120 | |||
10178845 | 96689 | 0 | None | -7 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 96689 | 0 | None | -7 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
44413969 | 87005 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
CHEMBL213752 | 87005 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 584 | 12 | 5 | 5 | 3.5 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1 | 10.1021/jm060384p | |||
44415912 | 146004 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
CHEMBL378837 | 146004 | 0 | None | -10 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 11 | 4 | 5 | 1.3 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O | 10.1016/j.bmcl.2006.05.087 | |||
24180646 | 154961 | 0 | None | -1071 | 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 | 154961 | 0 | None | -1071 | 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 | 154961 | 0 | None | -1071 | 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 | 154961 | 0 | None | -1071 | 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 | |||
44434821 | 96803 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 96803 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
137647538 | 164741 | 0 | None | -1318 | 3 | Human | 5.1 | pKi | = | 5.1 | 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 | 164741 | 0 | None | -1318 | 3 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
25131478 | 176287 | 0 | None | -53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 574 | 10 | 5 | 6 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O | 10.1021/jm800525p | |||
CHEMBL443396 | 176287 | 0 | None | -53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 574 | 10 | 5 | 6 | 1.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O | 10.1021/jm800525p | |||
44443035 | 161196 | 0 | None | -1258 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 9 | 1 | 5 | 5.5 | COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F | 10.1016/j.bmcl.2007.10.032 | |||
CHEMBL398929 | 161196 | 0 | None | -1258 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 9 | 1 | 5 | 5.5 | COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F | 10.1016/j.bmcl.2007.10.032 | |||
44322795 | 213705 | 0 | None | -13 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | 213705 | 0 | None | -13 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | |||
CHEMBL50056 | 220898 | 2 | None | -41 | 3 | Human | 6.1 | pKi | = | 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](Cc1c[nH]c2ccccc12)C(N)=O | 10.1016/s0960-894x(03)00552-3 | |||||
46905544 | 17071 | 0 | None | 4 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 641 | 14 | 6 | 5 | 2.6 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL1161791 | 17071 | 0 | None | 4 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 641 | 14 | 6 | 5 | 2.6 | CC(N)=O.N=C(N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44434702 | 156292 | 0 | None | -26 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | 156292 | 0 | None | -26 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | |||
44434856 | 161171 | 0 | None | -16 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | 161171 | 0 | None | -16 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | |||
44400864 | 131103 | 0 | None | -467 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | 131103 | 0 | None | -467 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
6918844 | 175401 | 1 | None | -245 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 175401 | 1 | None | -245 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
122178157 | 128030 | 0 | None | -50 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | |||
CHEMBL3577986 | 128030 | 0 | None | -50 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1027 | 12 | 10 | 10 | -0.1 | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cccc3ccccc23)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 | |||
CHEMBL3577976 | 218523 | 0 | None | -2 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O | 10.1021/acs.jmedchem.5b00184 | |||||
44265496 | 103824 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
CHEMBL267020 | 103824 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 453 | 9 | 3 | 3 | 3.9 | NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 | 10.1021/jm020945m | |||
70688853 | 83699 | 0 | None | -23 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | 83699 | 0 | None | -23 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
57646437 | 83697 | 0 | None | -74 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | 83697 | 0 | None | -74 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | 83697 | 0 | None | -74 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | 83697 | 0 | None | -74 | 4 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
162669632 | 189344 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787753 | 189344 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
162669632 | 189344 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
CHEMBL4787753 | 189344 | 0 | None | -6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1150 | 18 | 14 | 11 | 1.8 | 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](Cc2ccc(-c3ccc4ccccc4c3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/acs.jmedchem.0c01620 | |||
25129453 | 178545 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | |||
CHEMBL446757 | 178545 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 677 | 11 | 3 | 5 | 3.9 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm800525p | |||
44400932 | 77078 | 0 | None | -173 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 11 | 2 | 6 | 5.4 | CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL194393 | 77078 | 0 | None | -173 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 588 | 11 | 2 | 6 | 5.4 | CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
16007285 | 87897 | 0 | None | -61 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | 87897 | 0 | None | -61 | 3 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
44434709 | 96550 | 0 | None | -21 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | 96550 | 0 | None | -21 | 4 | Human | 4.1 | pKi | = | 4.1 | 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 | |||
44400778 | 142666 | 0 | None | -162 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 10 | 2 | 6 | 5.0 | COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL373099 | 142666 | 0 | None | -162 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 574 | 10 | 2 | 6 | 5.0 | COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44434785 | 155570 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 155570 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
44413968 | 87004 | 0 | None | -426 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL213751 | 87004 | 0 | None | -426 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
24740655 | 95861 | 0 | None | -1380 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 95861 | 0 | None | -1380 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 95861 | 0 | None | -1380 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 95861 | 0 | None | -1380 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
58777892 | 85819 | 0 | None | -117 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 85819 | 0 | None | -117 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
44265681 | 16955 | 0 | None | -28 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 369 | 7 | 4 | 4 | 0.6 | NC(N)=NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
CHEMBL1159700 | 16955 | 0 | None | -28 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 369 | 7 | 4 | 4 | 0.6 | NC(N)=NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00089-6 | |||
44413879 | 145680 | 0 | None | -64 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL378293 | 145680 | 0 | None | -64 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 681 | 15 | 6 | 7 | 0.9 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1C(=O)NCCN=C(N)N | 10.1021/jm060384p | |||
25132526 | 195702 | 0 | None | -43 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | |||
CHEMBL507876 | 195702 | 0 | None | -43 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 602 | 10 | 2 | 4 | 4.2 | CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C | 10.1021/jm800525p | |||
168279695 | 197914 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | 197914 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||
44400777 | 75447 | 0 | None | -295 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 630 | 13 | 2 | 7 | 4.7 | COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL192090 | 75447 | 0 | None | -295 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 630 | 13 | 2 | 7 | 4.7 | COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44434763 | 158122 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 158122 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
168285904 | 198449 | 0 | None | -169 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | 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 | 198449 | 0 | None | -169 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | 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 | |||
44413830 | 84725 | 0 | None | -8 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL209622 | 84725 | 0 | None | -8 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 587 | 14 | 5 | 6 | 1.3 | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N | 10.1021/jm060384p | |||
CHEMBL5083551 | 221648 | 0 | None | -93 | 3 | Human | 7.1 | pKi | = | 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](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
11845272 | 87133 | 0 | None | -8 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
CHEMBL214347 | 87133 | 0 | None | -8 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 632 | 12 | 5 | 5 | 4.0 | N=C(N)NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 | 10.1021/jm060384p | |||
44400809 | 75177 | 0 | None | -407 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 11 | 3 | 5 | 5.1 | O=C(NC1CC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL191701 | 75177 | 0 | None | -407 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 599 | 11 | 3 | 5 | 5.1 | O=C(NC1CC1)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
2163781 | 104152 | 9 | None | -4 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
CHEMBL269653 | 104152 | 9 | None | -4 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 289 | 5 | 3 | 1 | 4.0 | c1ccc2c(CCNCc3c[nH]c4ccccc34)c[nH]c2c1 | 10.1016/s0960-894x(02)00088-4 | |||
44401553 | 76600 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 648 | 14 | 4 | 5 | 3.7 | COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C(=O)[C@H](CCCN=C(N)N)NC(=O)Cc2cccc3ccccc23)cc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL193715 | 76600 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 648 | 14 | 4 | 5 | 3.7 | COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C(=O)[C@H](CCCN=C(N)N)NC(=O)Cc2cccc3ccccc23)cc1 | 10.1016/j.bmcl.2005.03.120 | |||
25133903 | 177337 | 0 | None | -15 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O | 10.1021/jm800525p | |||
CHEMBL445009 | 177337 | 0 | None | -15 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 596 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O | 10.1021/jm800525p | |||
44392535 | 71046 | 0 | None | -16 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 71046 | 0 | None | -16 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
9960253 | 123727 | 0 | None | -39 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 123727 | 0 | None | -39 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
168295173 | 199090 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | 199090 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||
CHEMBL89270 | 222678 | 0 | None | -17 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | 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 | 10.1016/s0960-894x(03)00552-3 | |||||
CHEMBL5077144 | 221264 | 0 | None | -575 | 3 | Human | 6.1 | pKi | = | 6.1 | 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](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | 10.1021/acs.jmedchem.1c00095 | |||||
CHEMBL5092761 | 222167 | 0 | None | -1258 | 3 | Human | 6.1 | pKi | = | 6.1 | 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](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 | |||||
CHEMBL428326 | 220217 | 0 | None | -17 | 4 | Human | 8.0 | pKi | = | 8.0 | 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 | |||||
168295173 | 199090 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | 199090 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||
44401285 | 142453 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 636 | 13 | 5 | 4 | 4.1 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
CHEMBL372966 | 142453 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 636 | 13 | 5 | 4 | 4.1 | N=C(N)NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2005.03.120 | |||
44265496 | 103824 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 103824 | 0 | None | -13 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
10134057 | 95432 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 95432 | 0 | None | -5 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
44453902 | 102209 | 0 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 391 | 10 | 5 | 3 | 2.4 | N=C(N)NCCC[C@H](CC1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.109 | |||
CHEMBL257040 | 102209 | 0 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 391 | 10 | 5 | 3 | 2.4 | N=C(N)NCCC[C@H](CC1CCCCC1)NC(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.11.109 | |||
168274920 | 197042 | 0 | None | -83 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | 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 | 197042 | 0 | None | -83 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | 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 | |||
44434715 | 174287 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 593 | 10 | 2 | 3 | 7.8 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL429983 | 174287 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 593 | 10 | 2 | 3 | 7.8 | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1Br | 10.1016/j.bmc.2007.06.003 | |||
44434781 | 96679 | 0 | None | -15 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 96679 | 0 | None | -15 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
44434758 | 95469 | 0 | None | -100 | 4 | Human | 4.0 | pKi | = | 4.0 | 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 | 95469 | 0 | None | -100 | 4 | Human | 4.0 | pKi | = | 4.0 | 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 | |||
25132524 | 183537 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
CHEMBL460349 | 183537 | 0 | None | -5 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 2.7 | CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1 | 10.1021/jm800525p | |||
44400662 | 131946 | 0 | None | -478 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 13 | 3 | 6 | 4.5 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
CHEMBL364463 | 131946 | 0 | None | -478 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 601 | 13 | 3 | 6 | 4.5 | NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 | 10.1016/j.bmcl.2005.03.053 | |||
44434568 | 95951 | 0 | None | -213 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | 95951 | 0 | None | -213 | 3 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
44434843 | 95475 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | 95475 | 0 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
168285313 | 198180 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | 198180 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7.0 | 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 | |||
CHEMBL412495 | 219777 | 0 | None | -79 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)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](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O | 10.1021/jm0501432 | |||||
168272615 | 197166 | 0 | None | -87 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | 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 | 197166 | 0 | None | -87 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | 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 | |||
44434858 | 174030 | 0 | None | -9 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
CHEMBL429269 | 174030 | 0 | None | -9 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 529 | 9 | 4 | 3 | 5.4 | N[C@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmc.2007.06.003 | |||
11292 | 7219 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 298 | 5 | 2 | 5 | 1.7 | NC(=N/N=C\C=C\c1cccn1c1ccccc1[N+](=O)[O-])N | None | |||
70669253 | 7219 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 298 | 5 | 2 | 5 | 1.7 | NC(=N/N=C\C=C\c1cccn1c1ccccc1[N+](=O)[O-])N | None | |||
1321 | 8723 | 0 | None | -15 | 3 | Human | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
1328 | 8724 | 0 | None | -15 | 4 | Human | 8.3 | pKd | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9832440 | |||||
1333 | 8544 | 0 | None | - | 1 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | |||||
166638272 | 8544 | 0 | None | - | 1 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | |||||
44134812 | 8544 | 0 | None | - | 1 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | |||||
None | 223088 | 0 | 125I-NDP-MSH | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
None | 223088 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -11 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 299 | 5 | 3 | 6 | -0.3 | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | None | |||
3198 | 212292 | 76 | None | -75 | 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 | 212292 | 76 | None | -75 | 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 | 212292 | 76 | None | -75 | 34 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
2726 | 7706 | 68 | None | -186 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
621 | 7706 | 68 | None | -186 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
83 | 7706 | 68 | None | -186 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL71 | 7706 | 68 | None | -186 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB00477 | 7706 | 68 | None | -186 | 72 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
1016 | 10519 | 78 | None | -56 | 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 | 10519 | 78 | None | -56 | 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 | 10519 | 78 | None | -56 | 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 | 10519 | 78 | None | -56 | 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 | 10519 | 78 | None | -56 | 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 | 10519 | 78 | None | -56 | 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 | 213701 | 96 | None | -54 | 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 | 213701 | 96 | None | -54 | 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 | 213701 | 96 | None | -54 | 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 | |||
2247 | 7293 | 81 | None | -147 | 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 | 7293 | 81 | None | -147 | 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 | 7293 | 81 | None | -147 | 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 | 7293 | 81 | None | -147 | 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 | 7293 | 81 | None | -147 | 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 | |||
176 | 7186 | 66 | None | -6 | 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 | 7186 | 66 | None | -6 | 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 | 7186 | 66 | None | -6 | 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 | 7186 | 66 | None | -6 | 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 | 7186 | 66 | None | -6 | 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 | |||
134611880 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
16132265 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
3633 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
4931 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
CHEMBL1201610 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
DB01285 | 7066 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | |||||
None | 223089 | 0 | 125I-NDP-MSH | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | 223089 | 0 | 125I-[Nle4,D-Phe7]Alpha-MSH | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||
11993702 | 10365 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
5416 | 10365 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
9272 | 10365 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
CHEMBL3301624 | 10365 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
DB11700 | 10365 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
131839615 | 219415 | 26 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | 219415 | 26 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | 219415 | 26 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | |||||
10408 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | 7507 | 28 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
134611880 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
16132265 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
3633 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
4931 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
CHEMBL1201610 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
DB01285 | 7066 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | |||||
11993702 | 10365 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
5416 | 10365 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
9272 | 10365 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
CHEMBL3301624 | 10365 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
DB11700 | 10365 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | |||||
1325 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
1325 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
1325 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
6440621 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
6440621 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
6440621 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
9898183 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
9898183 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
9898183 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
CHEMBL3422426 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | |||||
CHEMBL3422426 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | |||||
CHEMBL3422426 | 10372 | 14 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | |||||
1325 | 10372 | 14 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
6440621 | 10372 | 14 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
9898183 | 10372 | 14 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
CHEMBL3422426 | 10372 | 14 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
1320 | 7154 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | |||||
1320 | 7154 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
16162729 | 7154 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | |||||
16162729 | 7154 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
1323 | 9465 | 55 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
92432 | 9465 | 55 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
CHEMBL430239 | 9465 | 55 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
1324 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
16154396 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
16197727 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
44285019 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
57514683 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
91898441 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
CHEMBL441738 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | |||||
DB04931 | 7090 | 25 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 |