Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
1323 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
1323 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm701093y | ||||
CHEMBL413212 | 211307 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.0c00561 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0490843 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01417 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00641 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01707 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.07.025 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0303608 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010061n | ||||
1324 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16154396 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
16197727 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
44285019 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
57514683 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
91898441 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
CHEMBL441738 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
DB04931 | 299 | 23 | None | -1 | 9 | Rat | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030452x | ||||
168284256 | 190352 | 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 | 190352 | 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 | 190363 | 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 | 190363 | 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 | 211768 | 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 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101425m | ||||
127036484 | 135922 | 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 | 135922 | 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 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
11993702 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
5416 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
9272 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3301624 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
DB11700 | 3536 | 18 | None | 1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
168271934 | 189492 | 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 | 189492 | 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 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
92432 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
CHEMBL430239 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010524p | ||||
44310104 | 81176 | 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 | 81176 | 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 | 210628 | 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 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
92432 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
CHEMBL430239 | 2649 | 49 | None | -5 | 8 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0492756 | ||||
1323 | 2649 | 49 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
92432 | 2649 | 49 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL430239 | 2649 | 49 | None | -5 | 8 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
127036484 | 135922 | 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 | 135922 | 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 | 190718 | 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 | 190718 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00856 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00198 | ||||
CHEMBL428615 | 211712 | 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 | 115739 | 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 | 115739 | 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 | 115742 | 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 | 115742 | 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 | 2649 | 49 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
118722937 | 115738 | 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 | 115738 | 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 | 208394 | 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 | 123465 | 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 | 123465 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 191028 | 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 | 191028 | 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 | 123465 | 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 | 123465 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm301253y | ||||
CHEMBL405087 | 210794 | 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 | 211418 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
1324 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
1323 | 2649 | 49 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL267794 | 208988 | 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 | 189839 | 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 | 189839 | 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 | 115737 | 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 | 115737 | 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 | 115745 | 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 | 115745 | 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 | 211091 | 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 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
168270124 | 189362 | 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 | 189362 | 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 | 189671 | 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 | 189671 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00251 | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800291b | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500064t | ||||
16157270 | 210806 | 15 | 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 | 210806 | 15 | 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 | 210806 | 15 | 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 | 210806 | 15 | 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 | 191568 | 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 | 191568 | 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 | 190786 | 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 | 190786 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02041 | ||||
CHEMBL413912 | 211352 | 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 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL264536 | 208882 | 2 | 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 | 190328 | 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 | 190328 | 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 | 79541 | 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 | 79541 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00053 | ||||
118722933 | 115735 | 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 | 115735 | 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 | 80779 | 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 | 80779 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 168330 | 17 | 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 | 168330 | 17 | 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 | 168330 | 17 | 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 | 168330 | 17 | 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 | 168330 | 17 | 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 | 168330 | 17 | 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 | 115743 | 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 | 115743 | 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 | 191807 | 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 | 191807 | 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 | 115744 | 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 | 115744 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 210957 | 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 | 190645 | 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 | 190645 | 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 | 155330 | 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 | 155330 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
1324 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm501027w | ||||
118722930 | 115733 | 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 | 115733 | 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 | 115730 | 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 | 115730 | 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 | 189894 | 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 | 189894 | 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 | 207882 | 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 | 138740 | 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 | 138740 | 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 | 163568 | 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 | 163568 | 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 | 208555 | 0 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 211724 | 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 | 213511 | 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 | 208845 | 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 | 213349 | 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 | 137940 | 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 | 137940 | 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 | 115734 | 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 | 115734 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 213097 | 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 | 210076 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
118722927 | 115731 | 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 | 115731 | 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 | 212100 | 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 | 211996 | 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 | 208992 | 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 | 207091 | 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 | 164081 | 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 | 164081 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
1323 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL393075 | 210715 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
1323 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
145973975 | 164105 | 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 | 164105 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL3752534 | 210469 | 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 | 115741 | 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 | 115741 | 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 | 209822 | 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 | 140914 | 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 | 140914 | 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 | 77596 | 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 | 77596 | 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 | 173305 | 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 | 173305 | 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 | 139219 | 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 | 139219 | 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 | 139219 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 154365 | 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 | 154365 | 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 | 175003 | 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 | 175003 | 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 | 175393 | 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 | 175393 | 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 | 209480 | 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 | 156437 | 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 | 156437 | 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 | 158672 | 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 | 158672 | 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 | 211132 | 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 | 175161 | 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 | 175161 | 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 | 201397 | 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 | 201397 | 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 | 201646 | 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 | 201646 | 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 | 93693 | 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 | 93693 | 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 | 66719 | 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 | 66719 | 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 | 123455 | 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 | 123455 | 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 | 69931 | 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 | 69931 | 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 | 172042 | 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 | 172042 | 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 | 207772 | 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 | 173925 | 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 | 173925 | 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 | 211846 | 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 | 7946 | 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 | 7946 | 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 | 78169 | 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 | 78169 | 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 | 188262 | 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 | 188262 | 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 | 121919 | 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 | 121919 | 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 | 182577 | 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 | 182577 | 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 | 208364 | 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 | 209659 | 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 | 213525 | 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 | 111251 | 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 | 111251 | 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 | 173976 | 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 | 173976 | 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 | 180914 | 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 | 180914 | 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 | 180953 | 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 | 180953 | 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 | 173012 | 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 | 173012 | 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 | 157535 | 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 | 157535 | 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 | 173370 | 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 | 173370 | 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 | 78571 | 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 | 78571 | 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 | 177895 | 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 | 177895 | 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 | 210079 | 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 | 79818 | 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 | 79818 | 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 | 93865 | 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 | 93865 | 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 | 166727 | 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 | 166727 | 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 | 7878 | 18 | 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 | 7878 | 18 | 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 | 7878 | 18 | 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 | 8035 | 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 | 8035 | 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 | 138984 | 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 | 138984 | 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 | 214023 | 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 | 171200 | 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 | 171200 | 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 | 163810 | 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 | 163810 | 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 | 209659 | 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 | 208225 | 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 | 165943 | 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 | 165943 | 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 | 204489 | 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 | 204489 | 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 | 168313 | 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 | 168313 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 137068 | 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 | 137068 | 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 | 155369 | 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 | 155369 | 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 | 213811 | 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 | 206724 | 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 | 208863 | 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 | 97515 | 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 | 97515 | 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 | 213683 | 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 | 207753 | 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 | 106529 | 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 | 106529 | 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 | 210073 | 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 | 212657 | 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 | 212370 | 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 | 105617 | 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 | 105617 | 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 | 175474 | 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 | 175474 | 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 | 156545 | 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 | 156545 | 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 | 3747 | 37 | None | -467 | 7 | 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 | 3747 | 37 | None | -467 | 7 | 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 | 3747 | 37 | None | -467 | 7 | 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 | 69050 | 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 | 69050 | 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 | 126717 | 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 | 126717 | 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 | 207632 | 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 | 209724 | 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 | 79584 | 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 | 79584 | 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 | 67278 | 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 | 67278 | 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 | 212353 | 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 | 179520 | 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 | 179520 | 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 | 180944 | 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 | 180944 | 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 | 182508 | 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 | 182508 | 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 | 123562 | 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 | 123562 | 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 | 207464 | 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 | 122044 | 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 | 122044 | 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 | 168289 | 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 | 168289 | 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 | 172680 | 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 | 172680 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 155758 | 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 | 155758 | 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 | 155496 | 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 | 155496 | 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 | 181983 | 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 | 181983 | 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 | 80686 | 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 | 80686 | 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 | 126942 | 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 | 126942 | 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 | 121831 | 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 | 121831 | 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 | 156149 | 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 | 156149 | 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 | 176445 | 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 | 176445 | 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 | 79819 | 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 | 79819 | 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 | 159170 | 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 | 159170 | 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 | 176356 | 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 | 176356 | 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 | 207308 | 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 | 176150 | 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 | 176150 | 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 | 138988 | 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 | 138988 | 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 | 173765 | 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 | 173765 | 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 | 209235 | 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 | 213345 | 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 | 172305 | 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 | 172305 | 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 | 181608 | 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 | 181608 | 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 | 12851 | 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 | 12851 | 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 | 12851 | 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 | 208223 | 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 | 159009 | 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 | 159009 | 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 | 212348 | 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 | 209659 | 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 | 209480 | 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 | 182619 | 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 | 182619 | 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 | 96391 | 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 | 96391 | 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 | 182619 | 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 | 182619 | 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 | 208863 | 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 | 95155 | 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 | 95155 | 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 | 210072 | 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 | 157307 | 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 | 157307 | 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 | 212714 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
137637026 | 155384 | 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 | 155384 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 156261 | 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 | 156261 | 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 | 208863 | 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 | 204820 | 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 | 204820 | 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 | 164719 | 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 | 164719 | 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 | 174598 | 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 | 174598 | 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 | 207305 | 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 | 209733 | 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 | 158832 | 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 | 158832 | 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 | 121912 | 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 | 121912 | 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 | 189793 | 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 | 189793 | 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 | 80906 | 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 | 80906 | 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 | 167774 | 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 | 167774 | 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 | 212346 | 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 | 210175 | 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 | 207358 | 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 | 195425 | 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 | 195425 | 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 | 181714 | 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 | 181714 | 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 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
44323031 | 167515 | 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 | 167515 | 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 | 212623 | 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 | 65980 | 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 | 65980 | 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 | 207303 | 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 | 212348 | 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 | 207416 | 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 | 208226 | 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 | 8308 | 3 | None | -257 | 7 | 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 | 8308 | 3 | None | -257 | 7 | 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 | 201106 | 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 | 201106 | 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 | 208226 | 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 | 208863 | 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 | 181714 | 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 | 181714 | 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 | 209169 | 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 | 210087 | 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 | 79352 | 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 | 79352 | 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 | 121922 | 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 | 121922 | 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 | 213613 | 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 | 207767 | 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 | 14862 | 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 | 14862 | 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 | 119469 | 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 | 119469 | 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 | 172221 | 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 | 172221 | 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 | 121920 | 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 | 121920 | 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 | 207780 | 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 | 163411 | 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 | 163411 | 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 | 209564 | 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 | 212011 | 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 | 156217 | 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 | 156217 | 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 | 213503 | 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 | 207774 | 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 | 190116 | 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 | 190116 | 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 | 207771 | 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 | 173940 | 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 | 173940 | 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 | 189669 | 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 | 189669 | 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 | 208863 | 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 | 210080 | 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 | 195666 | 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 | 195666 | 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 | 141056 | 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 | 141056 | 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 | 212392 | 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 | 188149 | 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 | 188149 | 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 | 207091 | 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 | 212172 | 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 | 209659 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 213346 | 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 | 209821 | 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 | 115019 | 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 | 115019 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL3358542 | 209823 | 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 | 190521 | 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 | 190521 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 159649 | 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 | 159649 | 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 | 208938 | 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 | 211847 | 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 | 158900 | 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 | 158900 | 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 | 207766 | 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 | 118297 | 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 | 118297 | 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 | 14861 | 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 | 14861 | 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 | 173158 | 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 | 173158 | 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 | 185921 | 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 | 185921 | 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 | 116449 | 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 | 116449 | 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 | 74085 | 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 | 74085 | 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 | 79473 | 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 | 79473 | 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 | 141424 | 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 | 141424 | 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 | 74085 | 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 | 74085 | 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 | 77711 | 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 | 77711 | 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 | 79657 | 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 | 79657 | 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 | 79820 | 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 | 79820 | 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 | 138486 | 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 | 138486 | 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 | 141424 | 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 | 141424 | 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 | 123522 | 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 | 123522 | 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 | 155985 | 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 | 155985 | 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 | 209478 | 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 | 97163 | 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 | 97163 | 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 | 195763 | 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 | 195763 | 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 | 79643 | 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 | 79643 | 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 | 122642 | 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 | 122642 | 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 | 174719 | 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 | 174719 | 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 | 209565 | 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 | 174464 | 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 | 174464 | 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 | 175136 | 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 | 175136 | 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 | 185318 | 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 | 185318 | 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 | 211609 | 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 | 158282 | 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 | 158282 | 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 | 138763 | 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 | 138763 | 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 | 172033 | 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 | 172033 | 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 | 182508 | 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 | 182508 | 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 | 111253 | 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 | 111253 | 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 | 139463 | 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 | 139463 | 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 | 183972 | 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 | 183972 | 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 | 132606 | 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 | 132606 | 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 | 155758 | 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 | 155758 | 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 | 207765 | 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 | 207848 | 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 | 212945 | 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 | 97392 | 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 | 97392 | 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 | 207768 | 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 | 93697 | 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 | 93697 | 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 | 110945 | 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 | 110945 | 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 | 159124 | 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 | 159124 | 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 | 79948 | 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 | 79948 | 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 | 97123 | 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 | 97123 | 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 | 65453 | 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 | 65453 | 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 | 176184 | 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 | 176184 | 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 | 121921 | 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 | 121921 | 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 | 212209 | 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 | 184972 | 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 | 184972 | 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 | 211026 | 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 | 125706 | 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 | 125706 | 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 | 208221 | 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 | 93698 | 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 | 93698 | 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 | 195138 | 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 | 195138 | 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 | 118296 | 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 | 118296 | 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 | 211888 | 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 | 191644 | 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 | 191644 | 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 | 138143 | 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 | 138143 | 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 | 212348 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 3747 | 37 | None | -239 | 7 | 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 | 94532 | 0 | None | -147 | 3 | 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 | 94532 | 0 | None | -147 | 3 | 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 | 188235 | 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 | 188235 | 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 | 2649 | 49 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00114-8 | ||||
CHEMBL410795 | 211095 | 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 | 210419 | 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 | 14891 | 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 | 14891 | 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 | 213847 | 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 | 156461 | 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 | 156461 | 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 | 156966 | 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 | 156966 | 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 | 166302 | 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 | 166302 | 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 | 207779 | 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 | 166133 | 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 | 166133 | 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 | 195699 | 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 | 195699 | 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 | 172759 | 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 | 172759 | 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 | 195759 | 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 | 195759 | 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 | 79867 | 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 | 79867 | 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 | 159163 | 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 | 159163 | 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 | 118652 | 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 | 118652 | 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 | 154300 | 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 | 154300 | 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 | 211904 | 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 | 77592 | 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 | 77592 | 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 | 67678 | 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 | 67678 | 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 | 158775 | 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 | 158775 | 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 | 158061 | 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 | 158061 | 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 | 211604 | 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 | 168365 | 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 | 168365 | 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 | 210521 | 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 | 207524 | 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 | 173233 | 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 | 173233 | 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 | 176151 | 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 | 176151 | 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 | 164146 | 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 | 164146 | 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 | 125156 | 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 | 125156 | 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 | 204878 | 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 | 204878 | 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 | 182289 | 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 | 182289 | 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 | 210565 | 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 | 186009 | 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 | 186009 | 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 | 195219 | 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 | 195219 | 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 | 158775 | 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 | 158775 | 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 | 77712 | 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 | 77712 | 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 | 153768 | 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 | 153768 | 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 | 182289 | 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 | 182289 | 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 | 96880 | 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 | 96880 | 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 | 96880 | 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 | 159197 | 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 | 159197 | 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 | 13878 | 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 | 13878 | 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 | 13878 | 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 | 191877 | 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 | 191877 | 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 | 154153 | 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 | 154153 | 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 | 137849 | 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 | 137849 | 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 | 96568 | 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 | 96568 | 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 | 211072 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
118722935 | 115736 | 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 | 115736 | 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 | 163753 | 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 | 163753 | 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 | 115729 | 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 | 115729 | 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 | 213704 | 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 | 115732 | 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 | 115732 | 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 | 115740 | 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 | 115740 | 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 | 1473 | 6 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 1473 | 6 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
133053557 | 163154 | 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 | 163154 | 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 | 172509 | 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 | 172509 | 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 | 155940 | 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 | 155940 | 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 | 139394 | 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 | 139394 | 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 | 210524 | 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 | 189398 | 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 | 189398 | 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 | 158482 | 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 | 158482 | 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 | 211322 | 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 | 106628 | 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 | 106628 | 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 | 156286 | 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 | 156286 | 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 | 159089 | 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 | 159089 | 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 | 173124 | 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 | 173124 | 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 | 209553 | 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 | 174047 | 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 | 174047 | 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 | 195762 | 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 | 195762 | 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 | 66620 | 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 | 66620 | 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 | 7988 | 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 | 7988 | 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 | 7988 | 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 | 97452 | 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 | 97452 | 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 | 207309 | 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 | 207883 | 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 | 157771 | 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 | 157771 | 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 | 208863 | 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 | 211134 | 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 | 185037 | 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 | 185037 | 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 | 138410 | 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 | 138410 | 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 | 122388 | 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 | 122388 | 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 | 166550 | 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 | 166550 | 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 | 77710 | 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 | 77710 | 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 | 156117 | 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 | 156117 | 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 | 97043 | 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 | 97043 | 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 | 58494 | 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 | 58494 | 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 | 58494 | 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 | 58494 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 122040 | 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 | 122040 | 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 | 163282 | 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 | 163282 | 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 | 2649 | 49 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44577519 | 188183 | 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 | 188183 | 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 | 195222 | 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 | 195222 | 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 | 125852 | 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 | 125852 | 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 | 210806 | 15 | 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 | 210806 | 15 | 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 | 138373 | 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 | 138373 | 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 | 206724 | 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 | 111250 | 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 | 111250 | 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 | 209659 | 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 | 173039 | 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 | 173039 | 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 | 184900 | 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 | 184900 | 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 | 214122 | 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 | 8308 | 3 | None | -85 | 7 | 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 | 8308 | 3 | None | -85 | 7 | 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 | 182244 | 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 | 182244 | 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 | 211057 | 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 | 185297 | 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 | 185297 | 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 | 185982 | 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 | 185982 | 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 | 7721 | 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 | 7721 | 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 | 7987 | 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 | 7987 | 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 | 212195 | 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 | 138696 | 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 | 138696 | 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 | 75036 | 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 | 75036 | 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 | 208414 | 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 | 183845 | 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 | 183845 | 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 | 184561 | 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 | 184561 | 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 | 79148 | 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 | 79148 | 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 | 208863 | 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 | 213705 | 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 | 191074 | 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 | 191074 | 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 | 180062 | 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 | 180062 | 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 | 208853 | 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 | 191300 | 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 | 191300 | 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 | 213230 | 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 | 214128 | 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 | 158793 | 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 | 158793 | 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 | 58492 | 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 | 58492 | 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 | 58492 | 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 | 58492 | 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 | 122039 | 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 | 122039 | 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 | 212745 | 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 | 173611 | 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 | 173611 | 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 | 212917 | 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 | 163206 | 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 | 163206 | 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 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1324 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL439128 | 212077 | 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 | 141006 | 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 | 141006 | 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 | 167409 | 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 | 167409 | 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 | 168890 | 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 | 168890 | 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 | 158705 | 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 | 158705 | 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 | 155630 | 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 | 155630 | 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 | 173342 | 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 | 173342 | 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 | 173844 | 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 | 173844 | 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 | 181648 | 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 | 181648 | 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 | 105484 | 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 | 105484 | 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 | 181983 | 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 | 181983 | 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 | 210998 | 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 | 157408 | 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 | 157408 | 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 | 171052 | 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 | 171052 | 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 | 185369 | 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 | 185369 | 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 | 156734 | 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 | 156734 | 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 | 207769 | 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 | 79386 | 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 | 79386 | 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 | 125774 | 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 | 125774 | 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 | 209486 | 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 | 7682 | 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 | 7682 | 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 | 7682 | 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 | 120973 | 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 | 120973 | 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 | 97588 | 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 | 97588 | 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 | 77661 | 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 | 77661 | 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 | 166922 | 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 | 166922 | 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 | 209659 | 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 | 185616 | 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 | 185616 | 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 | 96150 | 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 | 96150 | 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 | 210558 | 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 | 185912 | 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 | 185912 | 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 | 154152 | 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 | 154152 | 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 | 190472 | 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 | 190472 | 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 | 212348 | 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 | 212348 | 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 | 195760 | 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 | 195760 | 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 | 171978 | 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 | 171978 | 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 | 173205 | 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 | 173205 | 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 | 165604 | 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 | 165604 | 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 | 175080 | 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 | 175080 | 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 | 102288 | 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 | 102288 | 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 | 201648 | 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 | 201648 | 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 | 173736 | 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 | 173736 | 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 | 209454 | 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 | 207307 | 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 | 155534 | 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 | 155534 | 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 | 140830 | 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 | 140830 | 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 | 156841 | 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 | 156841 | 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 | 207770 | 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 | 124128 | 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 | 124128 | 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 | 191048 | 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 | 191048 | 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 | 8194 | 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 | 8194 | 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 | 158034 | 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 | 158034 | 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 | 167810 | 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 | 167810 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 58498 | 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 | 210070 | 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 | 156522 | 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 | 156522 | 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 | 111252 | 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 | 111252 | 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 | 139108 | 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 | 139108 | 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 | 121635 | 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 | 121635 | 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 | 207776 | 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 | 8246 | 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 | 8246 | 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 | 58497 | 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 | 58497 | 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 | 58497 | 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 | 58497 | 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 | 121634 | 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 | 121634 | 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 | 163968 | 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 | 163968 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
137637283 | 155439 | 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 | 155439 | 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 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
1323 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2649 | 49 | None | -58 | 8 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
11158573 | 70775 | 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 | 70775 | 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 | 210833 | 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 | 208526 | 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 | 79961 | 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 | 79961 | 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 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44577515 | 188420 | 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 | 188420 | 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 | 173749 | 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 | 173749 | 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 | 175199 | 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 | 175199 | 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 | 175523 | 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 | 175523 | 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 | 8195 | 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 | 8195 | 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 | 175220 | 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 | 175220 | 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 | 155781 | 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 | 155781 | 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 | 174377 | 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 | 174377 | 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 | 190081 | 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 | 190081 | 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 | 188117 | 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 | 188117 | 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 | 174487 | 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 | 174487 | 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 | 156997 | 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 | 156997 | 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 | 122041 | 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 | 122041 | 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 | 118294 | 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 | 118294 | 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 | 172779 | 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 | 172779 | 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 | 1473 | 6 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1473 | 6 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
164621414 | 185192 | 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 | 185192 | 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 | 212395 | 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 | 212182 | 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 | 155675 | 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 | 155675 | 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 | 75051 | 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 | 75051 | 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 | 159024 | 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 | 159024 | 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 | 79334 | 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 | 79334 | 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 | 79334 | 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 | 79334 | 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 | 188336 | 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 | 188336 | 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 | 118298 | 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 | 118298 | 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 | 111254 | 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 | 111254 | 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 | 208863 | 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 | 139814 | 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 | 139814 | 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 | 207740 | 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 | 207299 | 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 | 64226 | 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 | 64226 | 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 | 188237 | 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 | 188237 | 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 | 212808 | 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 | 138144 | 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 | 138144 | 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 | 166491 | 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 | 166491 | 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 | 156351 | 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 | 156351 | 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 | 8192 | 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 | 8192 | 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 | 106514 | 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 | 106514 | 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 | 172127 | 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 | 172127 | 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 | 111081 | 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 | 111081 | 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 | 195605 | 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 | 195605 | 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 | 31077 | 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 | 31077 | 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 | 208479 | 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 | 140023 | 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 | 140023 | 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 | 137021 | 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 | 137021 | 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 | 141017 | 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 | 141017 | 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 | 174762 | 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 | 174762 | 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 | 93620 | 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 | 93620 | 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 | 162818 | 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 | 162818 | 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 | 208222 | 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 | 208222 | 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 | 212934 | 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 | 213479 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16154396 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
16197727 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
44285019 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
57514683 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
91898441 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL441738 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
DB04931 | 299 | 23 | None | -16 | 9 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00353 | ||||
CHEMBL405335 | 210809 | 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 | 172317 | 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 | 172317 | 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 | 172522 | 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 | 172522 | 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 | 174723 | 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 | 174723 | 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 | 182256 | 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 | 182256 | 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 | 7727 | 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 | 7727 | 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 | 156864 | 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 | 156864 | 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 | 174795 | 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 | 174795 | 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 | 182256 | 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 | 182256 | 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 | 156925 | 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 | 156925 | 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 | 212218 | 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 | 213770 | 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 | 185385 | 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 | 185385 | 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 | 155697 | 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 | 155697 | 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 | 208754 | 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 | 211136 | 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 | 75068 | 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 | 75068 | 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 | 204804 | 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 | 204804 | 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 | 122799 | 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 | 122799 | 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 | 189976 | 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 | 189976 | 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 | 7673 | 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 | 7673 | 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 | 182321 | 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 | 182321 | 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 | 211431 | 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 | 207306 | 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 | 122800 | 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 | 122800 | 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 | 139549 | 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 | 139549 | 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 | 153871 | 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 | 153871 | 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 | 156555 | 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 | 156555 | 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 | 208863 | 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 | 210877 | 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 | 212708 | 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 | 181599 | 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 | 181599 | 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 | 173231 | 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 | 173231 | 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 | 1473 | 6 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1473 | 6 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
10146211 | 63998 | 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 | 63998 | 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 | 121914 | 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 | 121914 | 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 | 7672 | 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 | 7672 | 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 | 111889 | 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 | 111889 | 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 | 207781 | 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 | 199398 | 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 | 199398 | 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 | 212608 | 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 | 173284 | 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 | 173284 | 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 | 157312 | 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 | 157312 | 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 | 163795 | 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 | 163795 | 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 | 208863 | 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 | 195575 | 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 | 195575 | 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 | 157002 | 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 | 157002 | 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 | 7722 | 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 | 7722 | 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 | 7722 | 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 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16154396 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
16197727 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
44285019 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
57514683 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
91898441 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL441738 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
DB04931 | 299 | 23 | None | -7 | 9 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00318-4 | ||||
CHEMBL406891 | 210879 | 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 | 209659 | 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 | 210078 | 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 | 131966 | 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 | 131966 | 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 | 157419 | 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 | 157419 | 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 | 163397 | 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 | 163397 | 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 | 163489 | 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 | 163489 | 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 | 58495 | 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 | 58495 | 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 | 14969 | 0 | None | -257 | 5 | 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 | 14969 | 0 | None | -257 | 5 | 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 | 181085 | 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 | 181085 | 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 | 181085 | 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 | 181085 | 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 | 122043 | 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 | 122043 | 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 | 157340 | 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 | 157340 | 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 | 212256 | 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 | 207773 | 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 | 97293 | 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 | 97293 | 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 | 4524 | 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 | 4524 | 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 | 14872 | 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 | 14872 | 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 | 172610 | 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 | 172610 | 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 | 174513 | 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 | 174513 | 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 | 210077 | 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 | 207778 | 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 | 157216 | 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 | 157216 | 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 | 137098 | 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 | 137098 | 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 | 123563 | 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 | 123563 | 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 | 79774 | 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 | 79774 | 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 | 171428 | 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 | 171428 | 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 | 212306 | 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 | 153554 | 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 | 153554 | 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 | 214119 | 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 | 172374 | 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 | 172374 | 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 | 138119 | 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 | 138119 | 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 | 120972 | 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 | 120972 | 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 | 165435 | 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 | 165435 | 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 | 207237 | 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 | 66433 | 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 | 66433 | 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 | 155559 | 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 | 155559 | 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 | 139274 | 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 | 139274 | 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 | 211061 | 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 | 140138 | 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 | 140138 | 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 | 14873 | 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 | 14873 | 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 | 96122 | 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 | 96122 | 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 | 155690 | 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 | 155690 | 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 | 67677 | 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 | 67677 | 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 | 205452 | 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 | 205452 | 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 | 190885 | 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 | 190885 | 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 | 210071 | 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 | 14870 | 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 | 14870 | 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 | 191531 | 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 | 191531 | 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 | 207311 | 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 | 94627 | 0 | None | -218 | 3 | 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 | 94627 | 0 | None | -218 | 3 | 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 | 210060 | 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 | 209951 | 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 | 96284 | 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 | 96284 | 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 | 158087 | 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 | 158087 | 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 | 111255 | 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 | 111255 | 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 | 94384 | 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 | 94384 | 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 | 213526 | 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 | 211408 | 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 | 212348 | 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 | 126258 | 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 | 126258 | 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 | 166903 | 0 | None | -109 | 3 | 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 | 166903 | 0 | None | -109 | 3 | 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 | 207482 | 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 | 106668 | 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 | 106668 | 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 | 171931 | 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 | 171931 | 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 | 75156 | 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 | 75156 | 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 | 130849 | 2 | 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 | 130849 | 2 | 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 | 4524 | 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 | 4524 | 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 | 65882 | 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 | 65882 | 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 | 8308 | 3 | None | -151 | 7 | 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 | 8308 | 3 | None | -151 | 7 | 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 | 208226 | 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 | 208226 | 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 | 208222 | 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 | 208222 | 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 | 182400 | 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 | 182400 | 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 | 182400 | 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 | 182400 | 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 | 182946 | 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 | 182946 | 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 | 182946 | 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 | 182946 | 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 | 181611 | 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 | 181611 | 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 | 181223 | 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 | 181223 | 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 | 181223 | 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 | 181223 | 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 | 189798 | 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 | 189798 | 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 | 189798 | 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 | 189798 | 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 | 182008 | 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 | 182008 | 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 | 182008 | 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 | 182008 | 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 | 182732 | 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 | 182732 | 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 | 182732 | 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 | 182732 | 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 | 181767 | 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 | 181767 | 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 | 181767 | 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 | 181767 | 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 | 182542 | 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 | 182542 | 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 | 182542 | 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 | 182542 | 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 | 181955 | 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 | 181955 | 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 | 181955 | 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 | 181955 | 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 | 182679 | 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 | 182679 | 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 | 182679 | 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 | 182679 | 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 | 181324 | 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 | 181324 | 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 | 181324 | 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 | 181324 | 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 | 182476 | 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 | 182476 | 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 | 182476 | 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 | 182476 | 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 | 182380 | 0 | None | -2 | 2 | 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 | 182380 | 0 | None | -2 | 2 | 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 | 182380 | 0 | None | -2 | 2 | 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 | 182380 | 0 | None | -2 | 2 | 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 | 181129 | 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 | 181129 | 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 | 181129 | 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 | 181129 | 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 | 182878 | 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 | 182878 | 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 | 182878 | 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 | 182878 | 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 | 182439 | 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 | 182439 | 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 | 182439 | 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 | 182439 | 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 | 182871 | 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 | 182871 | 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 | 182975 | 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 | 182975 | 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 | 182975 | 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 | 182975 | 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 | 182871 | 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 | 182871 | 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 | 181142 | 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 | 181142 | 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 | 181142 | 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 | 181142 | 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 | 182471 | 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 | 182471 | 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 | 182471 | 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 | 182471 | 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 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
1325 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 3543 | 12 | None | -125 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
162664942 | 181611 | 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 | 181611 | 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 | 208764 | 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 | 207777 | 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 | 153771 | 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 | 153771 | 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 | 121913 | 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 | 121913 | 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 | 185144 | 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 | 185144 | 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 | 96515 | 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 | 184137 | 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 | 184137 | 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 | 135913 | 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 | 135913 | 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 | 207462 | 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 | 184262 | 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 | 184262 | 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 | 121919 | 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 | 121919 | 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 | 162426 | 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 | 162426 | 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 | 185165 | 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 | 185165 | 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 | 184137 | 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 | 184137 | 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 | 186018 | 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 | 186018 | 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 | 178870 | 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 | 178870 | 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 | 185604 | 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 | 185604 | 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 | 185899 | 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 | 185899 | 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 | 161714 | 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 | 161714 | 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 | 179475 | 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 | 179475 | 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 | 180889 | 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 | 180889 | 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 | 184016 | 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 | 184016 | 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 | 184867 | 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 | 184867 | 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 | 182784 | 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 | 182784 | 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 | 158890 | 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 | 158890 | 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 | 173237 | 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 | 173237 | 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 | 185144 | 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 | 185144 | 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 | 185008 | 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 | 185008 | 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 | 162283 | 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 | 162283 | 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 | 185004 | 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 | 185004 | 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 | 185165 | 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 | 185165 | 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 | 208636 | 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 | 181832 | 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 | 181832 | 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 | 156041 | 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 | 156041 | 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 | 171139 | 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 | 171139 | 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 | 183875 | 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 | 183875 | 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 | 185532 | 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 | 185532 | 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 | 212372 | 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 | 162207 | 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 | 162207 | 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 | 185451 | 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 | 185451 | 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 | 158372 | 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 | 158372 | 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 | 208863 | 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 | 212244 | 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 | 161643 | 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 | 161643 | 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 | 161736 | 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 | 161736 | 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 | 156316 | 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 | 156316 | 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 | 183875 | 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 | 183875 | 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 | 184671 | 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 | 184671 | 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 | 185317 | 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 | 185317 | 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 | 185915 | 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 | 185915 | 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 | 157826 | 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 | 157826 | 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 | 155895 | 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 | 155895 | 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 | 155983 | 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 | 155983 | 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 | 184810 | 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 | 184810 | 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 | 184892 | 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 | 184892 | 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 | 186018 | 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 | 186018 | 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 | 208167 | 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 | 184194 | 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 | 184194 | 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 | 184278 | 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 | 184278 | 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 | 207775 | 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 | 185189 | 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 | 185189 | 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 | 185899 | 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 | 185899 | 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 | 161458 | 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 | 161458 | 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 | 184767 | 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 | 184767 | 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 | 184892 | 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 | 184892 | 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 | 155162 | 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 | 155162 | 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 | 179100 | 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 | 179100 | 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 | 156054 | 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 | 156054 | 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 | 156996 | 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 | 156996 | 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 | 157352 | 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 | 157352 | 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 | 184081 | 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 | 184081 | 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 | 212378 | 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 | 206717 | 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 | 121917 | 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 | 121917 | 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 | 184012 | 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 | 184012 | 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 | 184016 | 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 | 184016 | 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 | 184020 | 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 | 184020 | 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 | 135913 | 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 | 135913 | 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 | 211327 | 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 | 158966 | 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 | 158966 | 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 | 161935 | 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 | 161935 | 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 | 162107 | 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 | 162107 | 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 | 184020 | 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 | 184020 | 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 | 158966 | 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 | 158966 | 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 | 161789 | 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 | 161789 | 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 | 162534 | 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 | 162534 | 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 | 174401 | 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 | 174401 | 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 | 156054 | 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 | 156054 | 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 | 179913 | 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 | 179913 | 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 | 185451 | 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 | 185451 | 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 | 159178 | 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 | 159178 | 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 | 212366 | 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 | 209488 | 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 | 184012 | 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 | 184012 | 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 | 184262 | 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 | 184262 | 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 | 156403 | 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 | 156403 | 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 | 158703 | 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 | 158703 | 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 | 172958 | 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 | 172958 | 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 | 96627 | 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 | 96627 | 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 | 184727 | 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 | 184727 | 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 | 184867 | 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 | 184867 | 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 | 185004 | 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 | 185004 | 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 | 208938 | 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 | 211724 | 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 | 210002 | 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 | 161865 | 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 | 161865 | 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 | 210002 | 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 | 184767 | 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 | 184767 | 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 | 184810 | 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 | 184810 | 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 | 185564 | 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 | 185564 | 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 | 159219 | 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 | 159219 | 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 | 209488 | 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 | 210074 | 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 | 185604 | 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 | 185604 | 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 | 162406 | 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 | 162406 | 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 | 184278 | 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 | 184278 | 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 | 162389 | 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 | 162389 | 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 | 156596 | 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 | 156596 | 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 | 185008 | 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 | 185008 | 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 | 185189 | 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 | 185189 | 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 | 139366 | 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 | 139366 | 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 | 179491 | 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 | 179491 | 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 | 161439 | 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 | 161439 | 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 | 161890 | 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 | 161890 | 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 | 162121 | 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 | 162121 | 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 | 162325 | 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 | 162325 | 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 | 184194 | 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 | 184194 | 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 | 155761 | 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 | 155761 | 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 | 156054 | 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 | 156054 | 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 | 174367 | 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 | 174367 | 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 | 184671 | 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 | 184671 | 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 | 184727 | 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 | 184727 | 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 | 166094 | 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 | 166094 | 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 | 166094 | 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 | 139268 | 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 | 139268 | 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 | 139290 | 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 | 139290 | 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 | 206717 | 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 | 185144 | 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 | 185144 | 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 | 184137 | 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 | 184137 | 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 | 135913 | 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 | 135913 | 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 | 185165 | 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 | 185165 | 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 | 184137 | 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 | 184137 | 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 | 186018 | 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 | 186018 | 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 | 185604 | 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 | 185604 | 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 | 185899 | 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 | 185899 | 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 | 184016 | 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 | 184016 | 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 | 184867 | 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 | 184867 | 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 | 185144 | 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 | 185144 | 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 | 185008 | 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 | 185008 | 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 | 185004 | 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 | 185004 | 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 | 185165 | 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 | 185165 | 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 | 183875 | 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 | 183875 | 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 | 185532 | 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 | 185532 | 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 | 184262 | 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 | 184262 | 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 | 184194 | 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 | 184194 | 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 | 184278 | 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 | 184278 | 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 | 185451 | 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 | 185451 | 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 | 183875 | 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 | 183875 | 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 | 184671 | 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 | 184671 | 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 | 185317 | 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 | 185317 | 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 | 185915 | 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 | 185915 | 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 | 184810 | 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 | 184810 | 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 | 184892 | 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 | 184892 | 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 | 186018 | 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 | 186018 | 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 | 185189 | 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 | 185189 | 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 | 185899 | 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 | 185899 | 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 | 184767 | 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 | 184767 | 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 | 184892 | 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 | 184892 | 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 | 155162 | 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 | 155162 | 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 | 184081 | 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 | 184081 | 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 | 209488 | 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 | 212366 | 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 | 184012 | 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 | 184012 | 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 | 184016 | 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 | 184016 | 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 | 184020 | 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 | 184020 | 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 | 135913 | 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 | 135913 | 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 | 184020 | 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 | 184020 | 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 | 156054 | 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 | 156054 | 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 | 185451 | 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 | 185451 | 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 | 212378 | 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 | 184012 | 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 | 184012 | 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 | 184262 | 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 | 184262 | 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 | 184727 | 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 | 184727 | 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 | 184867 | 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 | 184867 | 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 | 185004 | 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 | 185004 | 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 | 184767 | 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 | 184767 | 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 | 184810 | 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 | 184810 | 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 | 185564 | 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 | 185564 | 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 | 212244 | 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 | 185604 | 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 | 185604 | 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 | 212372 | 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 | 184278 | 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 | 184278 | 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 | 185008 | 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 | 185008 | 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 | 185189 | 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 | 185189 | 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 | 184194 | 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 | 184194 | 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 | 156054 | 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 | 156054 | 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 | 184671 | 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 | 184671 | 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 | 184727 | 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 | 184727 | 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 | 210889 | 20 | 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 | 210889 | 20 | 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 | 210889 | 20 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 3026 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 17482720 | ||||
1334 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
16133814 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11150170 | ||||
1341 | 3027 | 0 | None | -6 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 12431055 | ||||
1329 | 311 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | None | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 9454589 | ||||
1335 | 312 | 0 | None | -39 | 3 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 9819197 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
1324 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
1324 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
1324 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0104872 | ||||
1323 | 2649 | 49 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
92432 | 2649 | 49 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
CHEMBL430239 | 2649 | 49 | None | - | 3 | Mouse | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049010r | ||||
1324 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
1323 | 2649 | 49 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
92432 | 2649 | 49 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
CHEMBL430239 | 2649 | 49 | None | - | 3 | Mouse | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020296e | ||||
44327392 | 141331 | 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 | 141331 | 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 | 2649 | 49 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0303103 | ||||
1323 | 2649 | 49 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
92432 | 2649 | 49 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL430239 | 2649 | 49 | None | - | 3 | Mouse | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
16132144 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207995 | 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 | 208056 | 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 | 106535 | 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 | 106535 | 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 | 211885 | 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 | 214144 | 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 | 209548 | 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 | 106234 | 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 | 106234 | 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 | 208008 | 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 | 209966 | 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 | 208006 | 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 | 208019 | 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 | 214131 | 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 | 207059 | 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 | 209480 | 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 | 44991 | 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 | 44991 | 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 | 208863 | 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 | 207315 | 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 | 207322 | 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 | 210056 | 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 | 209965 | 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 | 209969 | 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 | 171314 | 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 | 171314 | 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 | 208012 | 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 | 168430 | 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 | 168430 | 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 | 211874 | 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 | 207313 | 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 | 210425 | 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 | 209964 | 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 | 97886 | 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 | 97886 | 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 | 209461 | 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 | 207460 | 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 | 208005 | 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 | 210428 | 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 | 30046 | 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 | 30046 | 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 | 207055 | 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 | 208003 | 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 | 209587 | 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 | 3543 | 12 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
6440621 | 3543 | 12 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
9898183 | 3543 | 12 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL3422426 | 3543 | 12 | None | -12 | 7 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL349795 | 209973 | 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 | 208013 | 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 | 207310 | 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 | 207336 | 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 | 210290 | 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 | 208018 | 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 | 208011 | 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 | 208272 | 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 | 208002 | 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 | 207058 | 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 | 207052 | 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 | 98042 | 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 | 98042 | 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 | 207998 | 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 | 210294 | 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 | 210420 | 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 | 168154 | 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 | 168154 | 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 | 208001 | 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 | 155309 | 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 | 155309 | 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 | 207999 | 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 | 207318 | 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 | 207333 | 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 | 208389 | 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 | 207053 | 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 | 208863 | 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 | 207739 | 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 | 209724 | 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 | 208000 | 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 | 214132 | 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 | 207335 | 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 | 207317 | 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 | 207323 | 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 | 208863 | 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 | 167640 | 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 | 167640 | 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 | 210296 | 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 | 167493 | 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 | 167493 | 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 | 205199 | 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 | 205199 | 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 | 98077 | 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 | 98077 | 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 | 209996 | 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 | 105680 | 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 | 105680 | 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 | 200133 | 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 | 200133 | 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 | 207320 | 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 | 209585 | 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 | 208272 | 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 | 206766 | 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 | 10165 | 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 | 10165 | 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 | 207462 | 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 | 212353 | 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 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960840h | ||||
1324 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01285 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00488 | ||||
145972289 | 163968 | 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 | 163968 | 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 | 168028 | 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 | 168028 | 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 | 210715 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm070461w | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801300c | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0510326 | ||||
CHEMBL204310 | 207420 | 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 | 121913 | 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 | 121913 | 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 | 211327 | 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 | 211724 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.015 | ||||
133053557 | 163154 | 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 | 163154 | 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 | 118296 | 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 | 118296 | 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 | 211095 | 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 | 118298 | 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 | 118298 | 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 | 102658 | 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 | 102658 | 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 | 174367 | 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 | 174367 | 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 | 211061 | 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 | 139463 | 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 | 139463 | 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 | 166903 | 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 | 166903 | 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 | 121919 | 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 | 121919 | 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 | 163282 | 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 | 163282 | 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 | 153771 | 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 | 153771 | 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 | 166922 | 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 | 166922 | 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 | 206762 | 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 | 130849 | 2 | 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 | 130849 | 2 | 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 | 168365 | 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 | 168365 | 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 | 207461 | 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 | 96627 | 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 | 96627 | 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 | 211590 | 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 | 167689 | 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 | 167689 | 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 | 210558 | 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 | 154832 | 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 | 154832 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 210428 | 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 | 207313 | 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 | 207320 | 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 | 210011 | 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 | 122039 | 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 | 122039 | 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 | 207417 | 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 | 121922 | 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 | 121922 | 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 | 78071 | 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 | 78071 | 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 | 139366 | 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 | 139366 | 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 | 139108 | 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 | 139108 | 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 | 126260 | 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 | 126260 | 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 | 209733 | 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 | 163795 | 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 | 163795 | 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 | 208636 | 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 | 208845 | 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 | 210565 | 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 | 208414 | 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 | 206717 | 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 | 121918 | 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 | 121918 | 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 | 94532 | 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 | 94532 | 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 | 94827 | 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 | 94827 | 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 | 210074 | 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 | 120781 | 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 | 120781 | 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 | 151708 | 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 | 151708 | 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 | 172958 | 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 | 172958 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 207310 | 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 | 164105 | 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 | 164105 | 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 | 130849 | 2 | 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 | 130849 | 2 | 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 | 78566 | 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 | 78566 | 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 | 122041 | 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 | 122041 | 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 | 121912 | 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 | 121912 | 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 | 122450 | 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 | 122450 | 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 | 210002 | 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 | 32474 | 12 | 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 | 32474 | 12 | 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 | 32474 | 12 | 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 | 152515 | 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 | 152515 | 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 | 148521 | 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 | 148521 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 3747 | 37 | 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 | 3747 | 37 | 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 | 3747 | 37 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 210070 | 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 | 206765 | 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 | 171888 | 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 | 171888 | 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 | 207482 | 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 | 207698 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 210296 | 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 | 207321 | 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 | 207322 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500436s | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2018.04.021 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060768f | ||||
CHEMBL503229 | 212392 | 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 | 212172 | 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 | 163691 | 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 | 163691 | 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 | 212381 | 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 | 207462 | 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 | 212370 | 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 | 210469 | 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 | 206764 | 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 | 206767 | 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 | 121921 | 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 | 121921 | 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 | 207419 | 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 | 213847 | 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 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
145975465 | 163397 | 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 | 163397 | 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 | 122040 | 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 | 122040 | 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 | 153724 | 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 | 153724 | 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 | 210066 | 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 | 78337 | 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 | 78337 | 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 | 67093 | 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 | 67093 | 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 | 75036 | 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 | 75036 | 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 | 66934 | 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 | 66934 | 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 | 66934 | 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 | 190577 | 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 | 190577 | 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 | 210076 | 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 | 166491 | 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 | 166491 | 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 | 143653 | 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 | 143653 | 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 | 207628 | 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 | 121878 | 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 | 121878 | 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 | 94414 | 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 | 94414 | 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 | 60485 | 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 | 60485 | 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 | 140137 | 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 | 140137 | 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 | 130849 | 2 | 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 | 130849 | 2 | 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 | 189976 | 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 | 189976 | 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 | 121915 | 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 | 121915 | 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 | 207632 | 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 | 906 | 64 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -186 | 72 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
168285801 | 190885 | 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 | 190885 | 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 | 161375 | 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 | 161375 | 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 | 161375 | 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 | 207464 | 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 | 207524 | 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 | 210524 | 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 | 156925 | 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 | 156925 | 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 | 163411 | 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 | 163411 | 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 | 210068 | 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 | 208418 | 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 | 207416 | 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 | 210545 | 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 | 209659 | 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 | 103715 | 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 | 103715 | 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 | 174401 | 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 | 174401 | 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 | 145391 | 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 | 145391 | 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 | 208527 | 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 | 157280 | 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 | 157280 | 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 | 116489 | 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 | 116489 | 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 | 94627 | 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 | 94627 | 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 | 95155 | 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 | 95155 | 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 | 208364 | 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 | 96195 | 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 | 96195 | 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 | 210069 | 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 | 207462 | 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 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1324 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030111j | ||||
CHEMBL266417 | 208938 | 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 | 210065 | 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 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00018a005 | ||||
145964017 | 163489 | 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 | 163489 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 210973 | 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 | 191714 | 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 | 191714 | 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 | 96717 | 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 | 96717 | 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 | 75051 | 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 | 75051 | 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 | 207315 | 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 | 122449 | 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 | 122449 | 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 | 191531 | 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 | 191531 | 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 | 94413 | 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 | 94413 | 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 | 207753 | 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 | 158966 | 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 | 158966 | 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 | 211847 | 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 | 60493 | 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 | 60493 | 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 | 210079 | 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 | 15435 | 4 | 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 | 15435 | 4 | 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 | 209659 | 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 | 158034 | 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 | 158034 | 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 | 139219 | 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 | 139219 | 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 | 139219 | 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 | 139268 | 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 | 139268 | 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 | 82842 | 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 | 82842 | 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 | 14862 | 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 | 14862 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 210072 | 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 | 154709 | 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 | 154709 | 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 | 193798 | 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 | 193798 | 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 | 140023 | 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 | 140023 | 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 | 153768 | 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 | 153768 | 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 | 60492 | 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 | 60492 | 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 | 208419 | 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 | 207323 | 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 | 208392 | 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 | 210294 | 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 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01894 | ||||
145973779 | 164180 | 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 | 164180 | 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 | 188149 | 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 | 188149 | 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 | 1473 | 6 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1473 | 6 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL1775066 | 207138 | 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 | 139793 | 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 | 139793 | 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 | 100735 | 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 | 100735 | 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 | 100735 | 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 | 100735 | 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 | 206763 | 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 | 166750 | 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 | 166750 | 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 | 210071 | 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 | 156864 | 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 | 156864 | 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 | 78564 | 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 | 78564 | 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 | 94548 | 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 | 94548 | 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 | 145276 | 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 | 145276 | 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 | 159649 | 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 | 159649 | 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 | 209656 | 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 | 156351 | 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 | 156351 | 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 | 208417 | 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 | 212100 | 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 | 191748 | 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 | 191748 | 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 | 189938 | 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 | 189938 | 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 | 166681 | 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 | 166681 | 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 | 96475 | 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 | 96475 | 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 | 210067 | 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 | 209659 | 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 | 14873 | 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 | 14873 | 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 | 78571 | 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 | 78571 | 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 | 123325 | 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 | 123325 | 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 | 211490 | 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 | 14969 | 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 | 14969 | 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 | 75156 | 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 | 75156 | 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 | 14891 | 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 | 14891 | 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 | 173387 | 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 | 173387 | 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 | 136033 | 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 | 136033 | 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 | 211322 | 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 | 163753 | 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 | 163753 | 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 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00301 | ||||
44431511 | 87638 | 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 | 87638 | 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 | 208854 | 0 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207137 | 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 | 118295 | 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 | 118295 | 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 | 207336 | 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 | 207335 | 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 | 210420 | 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 | 208863 | 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 | 210077 | 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 | 140138 | 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 | 140138 | 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 | 173237 | 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 | 173237 | 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 | 158087 | 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 | 158087 | 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 | 210075 | 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 | 164081 | 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 | 164081 | 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 | 157307 | 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 | 157307 | 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 | 212195 | 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 | 78072 | 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 | 78072 | 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 | 163810 | 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 | 163810 | 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 | 166924 | 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 | 166924 | 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 | 122044 | 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 | 122044 | 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 | 163568 | 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 | 163568 | 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 | 210476 | 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 | 211408 | 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 | 212061 | 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 | 207422 | 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 | 210806 | 15 | 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 | 210806 | 15 | 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 | 208528 | 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 | 210806 | 15 | 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 | 210806 | 15 | 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 | 211604 | 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 | 122043 | 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 | 122043 | 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 | 209659 | 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 | 188237 | 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 | 188237 | 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 | 211132 | 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 | 66857 | 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 | 66857 | 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 | 78561 | 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 | 78561 | 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 | 78338 | 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 | 78338 | 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 | 208863 | 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 | 139814 | 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 | 139814 | 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 | 208415 | 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 | 207318 | 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 | 191644 | 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 | 191644 | 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 | 210073 | 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 | 60484 | 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 | 60484 | 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 | 159024 | 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 | 159024 | 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 | 14861 | 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 | 14861 | 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 | 210080 | 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 | 168313 | 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 | 168313 | 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 | 190472 | 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 | 190472 | 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 | 1473 | 6 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
16133814 | 1473 | 6 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049579s | ||||
1334 | 1473 | 6 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
16133814 | 1473 | 6 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000211e | ||||
CHEMBL3349030 | 209659 | 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 | 163206 | 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 | 163206 | 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 | 189512 | 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 | 189512 | 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 | 60488 | 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 | 60488 | 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 | 60486 | 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 | 60486 | 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 | 140830 | 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 | 140830 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 14870 | 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 | 14870 | 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 | 207333 | 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 | 209081 | 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 | 210425 | 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 | 121914 | 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 | 121914 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2011.03.019 | ||||
122184636 | 121920 | 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 | 121920 | 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 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16154396 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
16197727 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
44285019 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
57514683 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
91898441 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
CHEMBL441738 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
DB04931 | 299 | 23 | None | - | 4 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00860 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960845e | ||||
CHEMBL3349030 | 209659 | 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 | 211000 | 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 | 66907 | 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 | 66907 | 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 | 160192 | 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 | 160192 | 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 | 75068 | 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 | 75068 | 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 | 210521 | 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 | 210485 | 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 | 14872 | 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 | 14872 | 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 | 8308 | 3 | 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 | 8308 | 3 | 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 | 121917 | 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 | 121917 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c01848 | ||||
145990599 | 166302 | 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 | 166302 | 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 | 123840 | 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 | 123840 | 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 | 3369 | 4 | 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 | 3369 | 4 | 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 | 3369 | 4 | 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 | 156261 | 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 | 156261 | 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 | 78569 | 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 | 78569 | 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 | 60487 | 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 | 60487 | 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 | 155630 | 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 | 155630 | 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 | 210078 | 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 | 210686 | 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 | 139290 | 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 | 139290 | 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 | 3543 | 12 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
6440621 | 3543 | 12 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
9898183 | 3543 | 12 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
CHEMBL3422426 | 3543 | 12 | None | -12 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00184 | ||||
44366081 | 10165 | 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 | 10165 | 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 | 208528 | 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 | 206766 | 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 | 3543 | 12 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
6440621 | 3543 | 12 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
9898183 | 3543 | 12 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL3422426 | 3543 | 12 | None | -12 | 7 | Mouse | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/ml500340z | ||||
CHEMBL2096742 | 207462 | 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 | 120748 | 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 | 120748 | 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 | 210006 | 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 | 120740 | 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 | 120740 | 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 | 120747 | 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 | 120747 | 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 | 118375 | 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 | 118375 | 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 | 210001 | 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 | 120749 | 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 | 120749 | 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 | 210007 | 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 | 118376 | 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 | 118376 | 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 | 210005 | 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 | 206764 | 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 | 120745 | 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 | 120745 | 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 | 206763 | 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 | 210002 | 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 | 206765 | 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 | 118372 | 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 | 118372 | 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 | 212121 | 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 | 207462 | 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 | 206767 | 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 | 209998 | 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 | 209999 | 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 | 210003 | 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 | 210010 | 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 | 206762 | 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 | 120739 | 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 | 120739 | 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 | 209997 | 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 | 210009 | 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 | 208527 | 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 | 181142 | 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 | 181142 | 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 | 181142 | 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 | 181142 | 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 | 182471 | 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 | 182471 | 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 | 182471 | 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 | 182471 | 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 | 182871 | 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 | 182871 | 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 | 182871 | 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 | 182871 | 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 | 211403 | 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 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
1325 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
6440621 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
9898183 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL3422426 | 3543 | 12 | None | -5 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
162673931 | 182476 | 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 | 182476 | 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 | 182476 | 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 | 182476 | 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 | 208226 | 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 | 212168 | 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 | 211428 | 0 | None | -2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
162668987 | 182008 | 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 | 182008 | 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 | 182008 | 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 | 182008 | 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 | 182542 | 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 | 182542 | 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 | 182542 | 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 | 182542 | 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 | 182289 | 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 | 182289 | 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 | 182289 | 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 | 182289 | 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 | 182439 | 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 | 182439 | 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 | 182439 | 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 | 182439 | 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 | 189706 | 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 | 189706 | 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 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(03)00552-3 | ||||
162677133 | 182975 | 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 | 182975 | 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 | 182975 | 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 | 182975 | 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 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm201489a | ||||
CHEMBL2370964 | 208222 | 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 | 210604 | 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 | 79541 | 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 | 79541 | 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 | 138740 | 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 | 138740 | 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 | 141056 | 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 | 141056 | 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 | 208056 | 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 | 208961 | 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 | 181714 | 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 | 181714 | 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 | 181714 | 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 | 181714 | 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 | 189731 | 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 | 189731 | 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 | 211254 | 17 | None | -12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
CHEMBL412536 | 211254 | 17 | None | -12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0501432 | ||||
168289404 | 190718 | 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 | 190718 | 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 | 120748 | 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 | 120748 | 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 | 210006 | 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 | 213345 | 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 | 68299 | 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 | 68299 | 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 | 66490 | 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 | 66490 | 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 | 120740 | 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 | 120740 | 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 | 89611 | 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 | 89611 | 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 | 213704 | 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 | 213511 | 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 | 135150 | 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 | 135150 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 76449 | 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 | 76449 | 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 | 76449 | 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 | 76449 | 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 | 190083 | 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 | 190083 | 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 | 189839 | 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 | 189839 | 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 | 105680 | 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 | 105680 | 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 | 162818 | 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 | 162818 | 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 | 190807 | 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 | 190807 | 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 | 152509 | 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 | 152509 | 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 | 207441 | 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 | 67032 | 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 | 67032 | 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 | 124902 | 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 | 124902 | 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 | 88605 | 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 | 88605 | 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 | 124670 | 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 | 124670 | 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 | 10203 | 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 | 10203 | 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 | 79473 | 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 | 79473 | 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 | 212808 | 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 | 137940 | 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 | 137940 | 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 | 57919 | 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 | 57919 | 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 | 79334 | 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 | 79334 | 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 | 79334 | 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 | 79334 | 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 | 208225 | 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 | 167493 | 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 | 167493 | 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 | 16151 | 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 | 16151 | 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 | 79310 | 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 | 79310 | 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 | 79310 | 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 | 79310 | 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 | 78624 | 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 | 78624 | 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 | 78629 | 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 | 78629 | 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 | 88822 | 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 | 88822 | 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 | 89182 | 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 | 89182 | 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 | 89306 | 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 | 89306 | 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 | 89599 | 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 | 89599 | 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 | 154176 | 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 | 154176 | 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 | 76573 | 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 | 76573 | 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 | 76573 | 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 | 76573 | 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 | 191877 | 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 | 191877 | 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 | 139274 | 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 | 139274 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 77712 | 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 | 77712 | 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 | 188262 | 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 | 188262 | 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 | 188235 | 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 | 188235 | 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 | 190081 | 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 | 190081 | 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 | 76575 | 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 | 76575 | 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 | 76575 | 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 | 76575 | 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 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
5416 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
9272 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL3301624 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
DB11700 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
11993702 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
5416 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
9272 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL3301624 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
DB11700 | 3536 | 18 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
168276507 | 189671 | 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 | 189671 | 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 | 167409 | 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 | 167409 | 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 | 191568 | 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 | 191568 | 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 | 106529 | 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 | 106529 | 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 | 120747 | 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 | 120747 | 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 | 87326 | 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 | 87326 | 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 | 68822 | 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 | 68822 | 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 | 154899 | 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 | 154899 | 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 | 210000 | 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 | 79679 | 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 | 79679 | 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 | 79679 | 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 | 79679 | 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 | 88272 | 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 | 88272 | 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 | 89598 | 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 | 89598 | 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 | 147627 | 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 | 147627 | 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 | 191048 | 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 | 191048 | 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 | 212917 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 70854 | 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 | 70854 | 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 | 211494 | 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 | 208938 | 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 | 167640 | 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 | 167640 | 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 | 105484 | 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 | 105484 | 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 | 208223 | 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 | 89494 | 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 | 89494 | 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 | 168154 | 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 | 168154 | 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 | 66487 | 0 | 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 | 66487 | 0 | 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 | 66536 | 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 | 66536 | 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 | 79736 | 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 | 79736 | 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 | 76421 | 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 | 76421 | 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 | 66490 | 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 | 66490 | 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 | 10090 | 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 | 10090 | 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 | 89307 | 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 | 89307 | 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 | 148161 | 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 | 148161 | 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 | 152209 | 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 | 152209 | 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 | 176445 | 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 | 176445 | 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 | 212945 | 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 | 123498 | 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 | 123498 | 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 | 138144 | 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 | 138144 | 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 | 208221 | 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 | 182256 | 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 | 182256 | 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 | 182256 | 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 | 182256 | 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 | 155330 | 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 | 155330 | 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 | 210938 | 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 | 210998 | 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 | 212011 | 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 | 16403 | 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 | 16403 | 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 | 112847 | 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 | 112847 | 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 | 66096 | 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 | 66096 | 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 | 88086 | 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 | 88086 | 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 | 89474 | 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 | 89474 | 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 | 32474 | 12 | 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 | 32474 | 12 | 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 | 32474 | 12 | 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 | 138486 | 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 | 138486 | 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 | 138410 | 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 | 138410 | 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 | 171978 | 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 | 171978 | 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 | 79867 | 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 | 79867 | 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 | 189492 | 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 | 189492 | 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 | 2649 | 49 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00170 | ||||
44322977 | 111081 | 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 | 111081 | 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 | 120749 | 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 | 120749 | 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 | 178069 | 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 | 178069 | 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 | 211609 | 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 | 145528 | 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 | 145528 | 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 | 123820 | 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 | 123820 | 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 | 76576 | 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 | 76576 | 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 | 76576 | 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 | 88870 | 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 | 88870 | 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 | 89002 | 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 | 89002 | 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 | 89596 | 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 | 89596 | 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 | 166793 | 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 | 166793 | 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 | 168334 | 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 | 168334 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 140056 | 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 | 140056 | 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 | 168890 | 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 | 168890 | 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 | 211616 | 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 | 207698 | 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 | 189660 | 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 | 189660 | 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 | 79961 | 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 | 79961 | 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 | 155534 | 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 | 155534 | 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 | 172033 | 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 | 172033 | 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 | 188850 | 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 | 188850 | 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 | 89008 | 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 | 89008 | 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 | 88540 | 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 | 88540 | 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 | 88876 | 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 | 88876 | 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 | 89166 | 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 | 89166 | 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 | 154134 | 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 | 154134 | 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 | 74085 | 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 | 74085 | 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 | 74085 | 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 | 74085 | 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 | 74085 | 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 | 74085 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 212608 | 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 | 159170 | 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 | 159170 | 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 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.2c00793 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.1c00095 | ||||
24180646 | 147650 | 0 | None | -251 | 7 | 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 | 147650 | 0 | None | -251 | 7 | 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 | 124254 | 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 | 124254 | 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 | 127985 | 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 | 127985 | 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 | 168478 | 0 | None | -323 | 4 | 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 | 168478 | 0 | None | -323 | 4 | 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 | 88085 | 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 | 88085 | 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 | 89483 | 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 | 89483 | 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 | 96602 | 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 | 96602 | 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 | 76169 | 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 | 76169 | 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 | 176151 | 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 | 176151 | 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 | 189362 | 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 | 189362 | 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 | 210901 | 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 | 187469 | 0 | None | -54 | 7 | 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 | 187469 | 0 | None | -54 | 7 | 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 | 155305 | 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 | 155305 | 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 | 178091 | 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 | 178091 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 64612 | 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 | 64612 | 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 | 214119 | 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 | 143281 | 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 | 143281 | 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 | 139713 | 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 | 139713 | 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 | 143281 | 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 | 143281 | 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 | 88169 | 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 | 88169 | 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 | 145772 | 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 | 145772 | 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 | 147084 | 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 | 147084 | 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 | 147370 | 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 | 147370 | 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 | 78740 | 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 | 78740 | 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 | 79657 | 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 | 79657 | 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 | 155985 | 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 | 155985 | 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 | 79818 | 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 | 79818 | 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 | 176498 | 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 | 176498 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 76568 | 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 | 76568 | 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 | 76567 | 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 | 76567 | 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 | 210988 | 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 | 208123 | 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 | 209615 | 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 | 205452 | 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 | 205452 | 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 | 191028 | 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 | 191028 | 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 | 210007 | 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 | 192771 | 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 | 192771 | 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 | 122428 | 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 | 122428 | 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 | 88977 | 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 | 88977 | 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 | 88996 | 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 | 88996 | 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 | 154176 | 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 | 154176 | 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 | 177895 | 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 | 177895 | 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 | 80686 | 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 | 80686 | 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 | 188117 | 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 | 188117 | 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 | 111889 | 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 | 111889 | 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 | 151410 | 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 | 151410 | 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 | 88169 | 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 | 88169 | 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 | 88876 | 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 | 88876 | 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 | 168356 | 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 | 168356 | 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 | 906 | 64 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
621 | 906 | 64 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
83 | 906 | 64 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
CHEMBL71 | 906 | 64 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
DB00477 | 906 | 64 | None | -186 | 72 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
25132867 | 171931 | 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 | 171931 | 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 | 137021 | 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 | 137021 | 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 | 207440 | 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 | 178070 | 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 | 178070 | 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 | 65835 | 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 | 65835 | 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 | 88089 | 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 | 88089 | 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 | 88995 | 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 | 88995 | 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 | 89071 | 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 | 89071 | 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 | 89313 | 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 | 89313 | 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 | 89591 | 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 | 89591 | 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 | 89599 | 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 | 89599 | 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 | 190652 | 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 | 190652 | 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 | 141424 | 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 | 141424 | 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 | 141424 | 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 | 141424 | 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 | 139593 | 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 | 139593 | 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 | 190645 | 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 | 190645 | 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 | 110945 | 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 | 110945 | 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 | 91127 | 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 | 91127 | 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 | 91127 | 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 | 91127 | 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 | 66560 | 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 | 66560 | 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 | 176243 | 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 | 176243 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 126244 | 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 | 126244 | 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 | 97392 | 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 | 97392 | 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 | 66830 | 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 | 66830 | 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 | 88097 | 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 | 88097 | 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 | 88529 | 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 | 88529 | 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 | 89313 | 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 | 89313 | 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 | 161222 | 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 | 161222 | 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 | 158282 | 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 | 158282 | 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 | 79386 | 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 | 79386 | 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 | 117444 | 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 | 117444 | 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 | 208853 | 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 | 16151 | 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 | 16151 | 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 | 147650 | 0 | None | -338 | 7 | 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 | 147650 | 0 | None | -338 | 7 | 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 | 126943 | 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 | 126943 | 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 | 126305 | 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 | 126305 | 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 | 88132 | 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 | 88132 | 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 | 88183 | 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 | 88183 | 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 | 88745 | 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 | 88745 | 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 | 145433 | 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 | 145433 | 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 | 152476 | 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 | 152476 | 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 | 140755 | 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 | 140755 | 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 | 69181 | 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 | 69181 | 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 | 155559 | 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 | 155559 | 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 | 155675 | 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 | 155675 | 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 | 169893 | 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 | 169893 | 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 | 208125 | 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 | 210005 | 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 | 69777 | 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 | 69777 | 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 | 66546 | 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 | 66546 | 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 | 178463 | 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 | 178463 | 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 | 120745 | 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 | 120745 | 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 | 88182 | 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 | 88182 | 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 | 89160 | 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 | 89160 | 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 | 89305 | 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 | 89305 | 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 | 149019 | 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 | 149019 | 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 | 152476 | 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 | 152476 | 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 | 154177 | 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 | 154177 | 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 | 133093 | 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 | 133093 | 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 | 138988 | 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 | 138988 | 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 | 190786 | 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 | 190786 | 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 | 97476 | 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 | 97476 | 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 | 106668 | 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 | 106668 | 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 | 88173 | 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 | 88173 | 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 | 88737 | 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 | 88737 | 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 | 89085 | 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 | 89085 | 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 | 148072 | 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 | 148072 | 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 | 178124 | 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 | 178124 | 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 | 212623 | 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 | 76574 | 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 | 76574 | 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 | 76574 | 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 | 76574 | 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 | 91022 | 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 | 91022 | 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 | 91022 | 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 | 91022 | 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 | 68820 | 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 | 68820 | 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 | 166498 | 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 | 166498 | 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 | 88169 | 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 | 88169 | 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 | 88873 | 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 | 88873 | 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 | 89309 | 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 | 89309 | 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 | 89469 | 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 | 89469 | 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 | 89470 | 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 | 89470 | 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 | 89590 | 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 | 89590 | 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 | 147612 | 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 | 147612 | 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 | 190312 | 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 | 190312 | 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 | 190328 | 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 | 190328 | 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 | 106234 | 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 | 106234 | 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 | 105617 | 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 | 105617 | 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 | 65872 | 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 | 65872 | 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 | 66353 | 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 | 66353 | 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 | 88164 | 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 | 88164 | 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 | 10089 | 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 | 10089 | 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 | 88088 | 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 | 88088 | 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 | 88743 | 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 | 88743 | 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 | 191116 | 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 | 191116 | 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 | 156555 | 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 | 156555 | 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 | 172779 | 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 | 172779 | 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 | 189398 | 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 | 189398 | 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 | 212348 | 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 | 138984 | 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 | 138984 | 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 | 79584 | 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 | 79584 | 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 | 167876 | 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 | 167876 | 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 | 209024 | 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 | 113936 | 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 | 113936 | 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 | 88169 | 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 | 88169 | 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 | 89079 | 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 | 89079 | 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 | 147616 | 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 | 147616 | 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 | 137849 | 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 | 137849 | 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 | 206717 | 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 | 190521 | 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 | 190521 | 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 | 15435 | 4 | 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 | 15435 | 4 | 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 | 211450 | 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 | 181085 | 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 | 181085 | 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 | 181085 | 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 | 181085 | 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 | 80779 | 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 | 80779 | 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 | 181129 | 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 | 181129 | 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 | 181129 | 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 | 181129 | 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 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01620 | ||||
168271899 | 190007 | 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 | 190007 | 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 | 189894 | 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 | 189894 | 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 | 113937 | 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 | 113937 | 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 | 114562 | 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 | 114562 | 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 | 88136 | 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 | 88136 | 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 | 88869 | 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 | 88869 | 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 | 89183 | 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 | 89183 | 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 | 212934 | 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 | 172042 | 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 | 172042 | 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 | 182619 | 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 | 182619 | 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 | 182619 | 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 | 182619 | 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 | 173676 | 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 | 173676 | 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 | 173688 | 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 | 173688 | 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 | 188676 | 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 | 188676 | 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 | 88876 | 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 | 88876 | 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 | 89166 | 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 | 89166 | 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 | 89599 | 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 | 89599 | 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 | 89603 | 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 | 89603 | 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 | 96934 | 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 | 96934 | 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 | 211250 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 212745 | 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 | 204403 | 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 | 204403 | 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 | 138143 | 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 | 138143 | 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 | 137852 | 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 | 137852 | 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 | 137852 | 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 | 137852 | 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 | 126023 | 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 | 126023 | 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 | 88740 | 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 | 88740 | 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 | 173205 | 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 | 173205 | 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 | 158900 | 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 | 158900 | 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 | 65354 | 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 | 65354 | 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 | 210957 | 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 | 147662 | 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 | 147662 | 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 | 88876 | 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 | 88876 | 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 | 89817 | 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 | 89817 | 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 | 145284 | 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 | 145284 | 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 | 145935 | 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 | 145935 | 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 | 204762 | 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 | 204762 | 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 | 187469 | 0 | None | -97 | 7 | 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 | 187469 | 0 | None | -97 | 7 | 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 | 96565 | 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 | 96565 | 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 | 208224 | 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 | 139851 | 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 | 139851 | 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 | 141017 | 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 | 141017 | 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 | 191807 | 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 | 191807 | 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 | 204820 | 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 | 204820 | 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 | 66356 | 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 | 66356 | 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 | 95274 | 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 | 95274 | 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 | 123137 | 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 | 123137 | 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 | 80906 | 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 | 80906 | 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 | 164719 | 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 | 164719 | 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 | 66002 | 0 | 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 | 66002 | 0 | 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 | 88741 | 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 | 88741 | 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 | 89471 | 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 | 89471 | 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 | 191190 | 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 | 191190 | 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 | 191592 | 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 | 191592 | 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 | 106535 | 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 | 106535 | 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 | 88131 | 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 | 88131 | 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 | 10086 | 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 | 10086 | 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 | 89805 | 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 | 89805 | 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 | 147863 | 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 | 147863 | 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 | 171428 | 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 | 171428 | 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 | 190684 | 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 | 190684 | 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 | 106514 | 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 | 106514 | 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 | 187517 | 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 | 187517 | 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 | 213503 | 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 | 88267 | 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 | 88267 | 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 | 89308 | 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 | 89308 | 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 | 168321 | 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 | 168321 | 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 | 139654 | 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 | 139654 | 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 | 79352 | 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 | 79352 | 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 | 212708 | 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 | 213479 | 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 | 157002 | 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 | 157002 | 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 | 200133 | 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 | 200133 | 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 | 70742 | 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 | 70742 | 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 | 123838 | 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 | 123838 | 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 | 176945 | 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 | 176945 | 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 | 89804 | 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 | 89804 | 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 | 147860 | 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 | 147860 | 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 | 158672 | 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 | 158672 | 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 | 191300 | 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 | 191300 | 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 | 213230 | 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 | 210607 | 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 | 210002 | 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 | 86839 | 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 | 86839 | 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 | 88744 | 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 | 88744 | 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 | 79643 | 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 | 79643 | 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 | 212657 | 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 | 190684 | 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 | 190684 | 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 | 89803 | 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 | 89803 | 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 | 80099 | 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 | 80099 | 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 | 80099 | 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 | 80099 | 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 | 77710 | 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 | 77710 | 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 | 76572 | 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 | 76572 | 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 | 76572 | 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 | 76572 | 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 | 138119 | 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 | 138119 | 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 | 211895 | 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 | 165948 | 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 | 165948 | 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 | 139642 | 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 | 139642 | 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 | 158945 | 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 | 158945 | 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 | 139549 | 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 | 139549 | 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 | 158061 | 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 | 158061 | 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 | 173012 | 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 | 173012 | 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 | 211996 | 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 | 89599 | 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 | 89599 | 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 | 146066 | 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 | 146066 | 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 | 147416 | 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 | 147416 | 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 | 172374 | 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 | 172374 | 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 | 137098 | 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 | 137098 | 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 | 204804 | 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 | 204804 | 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 | 214128 | 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 | 125821 | 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 | 125821 | 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 | 89479 | 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 | 89479 | 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 | 151009 | 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 | 151009 | 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 | 207439 | 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 | 123542 | 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 | 123542 | 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 | 207442 | 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 | 88270 | 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 | 88270 | 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 | 178071 | 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 | 178071 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 87025 | 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 | 87025 | 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 | 154885 | 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 | 154885 | 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 | 88322 | 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 | 88322 | 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 | 89475 | 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 | 89475 | 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 | 146323 | 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 | 146323 | 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 | 151052 | 0 | 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 | 151052 | 0 | 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 | 204632 | 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 | 204632 | 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 | 57918 | 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 | 57918 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 207534 | 31 | 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 | 139855 | 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 | 139855 | 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 | 146067 | 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 | 146067 | 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 | 170458 | 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 | 170458 | 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 | 79718 | 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 | 79718 | 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 | 76172 | 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 | 76172 | 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 | 16457 | 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 | 16457 | 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 | 79774 | 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 | 79774 | 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 | 79774 | 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 | 79774 | 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 | 88087 | 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 | 88087 | 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 | 88982 | 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 | 88982 | 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 | 172127 | 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 | 172127 | 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 | 213525 | 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 | 212148 | 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 | 105618 | 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 | 105618 | 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 | 88186 | 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 | 88186 | 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 | 68315 | 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 | 68315 | 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 | 187469 | 0 | None | -141 | 7 | 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 | 187469 | 0 | None | -141 | 7 | 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 | 151371 | 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 | 151371 | 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 | 190363 | 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 | 190363 | 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 | 190352 | 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 | 190352 | 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 | 211026 | 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 | 105528 | 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 | 105528 | 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 | 208764 | 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 | 77661 | 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 | 77661 | 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 | 213346 | 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 | 78618 | 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 | 78618 | 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 | 138229 | 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 | 138229 | 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 | 88225 | 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 | 88225 | 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 | 88871 | 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 | 88871 | 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 | 89816 | 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 | 89816 | 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 | 137068 | 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 | 137068 | 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 | 105618 | 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 | 105618 | 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 | 213526 | 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 | 96942 | 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 | 96942 | 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 | 189914 | 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 | 189914 | 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 | 213349 | 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 | 89349 | 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 | 89349 | 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 | 89805 | 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 | 89805 | 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 | 96143 | 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 | 96143 | 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 | 88133 | 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 | 88133 | 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 | 153892 | 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 | 153892 | 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 | 78706 | 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 | 78706 | 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 | 133094 | 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 | 133094 | 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 | 138763 | 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 | 138763 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 205261 | 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 | 205261 | 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 | 88224 | 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 | 88224 | 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 | 158775 | 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 | 158775 | 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 | 161375 | 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 | 161375 | 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 | 161375 | 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 | 156841 | 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 | 156841 | 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 | 204489 | 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 | 204489 | 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 | 145768 | 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 | 145768 | 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 | 145279 | 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 | 145279 | 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 | 145282 | 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 | 145282 | 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 | 148260 | 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 | 148260 | 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 | 208872 | 0 | None | -70 | 3 | 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 | 148666 | 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 | 148666 | 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 | 74647 | 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 | 74647 | 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 | 113924 | 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 | 113924 | 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 | 209488 | 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 | 208992 | 0 | None | -102 | 3 | 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 | 70269 | 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 | 70269 | 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 | 155159 | 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 | 155159 | 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 | 205492 | 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 | 205492 | 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 | 96942 | 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 | 96942 | 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 | 70386 | 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 | 70386 | 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 | 178090 | 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 | 178090 | 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 | 89386 | 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 | 89386 | 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 | 88095 | 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 | 88095 | 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 | 89808 | 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 | 89808 | 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 | 203949 | 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 | 203949 | 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 | 70277 | 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 | 70277 | 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 | 96284 | 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 | 96284 | 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 | 147382 | 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 | 147382 | 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 | 96519 | 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 | 96519 | 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 | 165948 | 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 | 165948 | 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 | 113610 | 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 | 113610 | 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 | 163356 | 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 | 163356 | 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 | 167500 | 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 | 167500 | 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 | 168062 | 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 | 168062 | 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 | 89818 | 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 | 89818 | 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 | 203753 | 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 | 203753 | 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 | 212077 | 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 | 211253 | 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 | 147625 | 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 | 147625 | 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 | 79605 | 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 | 79605 | 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 | 168179 | 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 | 168179 | 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 | 89313 | 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 | 89313 | 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 | 96756 | 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 | 96756 | 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 | 65748 | 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 | 65748 | 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 | 106628 | 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 | 106628 | 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 | 209998 | 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 | 209999 | 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 | 210003 | 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 | 89084 | 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 | 89084 | 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 | 89303 | 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 | 89303 | 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 | 148982 | 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 | 148982 | 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 | 190116 | 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 | 190116 | 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 | 126536 | 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 | 126536 | 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 | 88921 | 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 | 88921 | 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 | 126536 | 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 | 126536 | 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 | 10084 | 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 | 10084 | 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 | 89598 | 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 | 89598 | 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 | 167515 | 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 | 167515 | 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 | 123513 | 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 | 123513 | 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 | 123349 | 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 | 123349 | 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 | 88092 | 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 | 88092 | 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 | 148070 | 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 | 148070 | 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 | 148258 | 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 | 148258 | 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 | 166039 | 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 | 166039 | 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 | 161170 | 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 | 161170 | 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 | 204878 | 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 | 204878 | 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 | 89599 | 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 | 89599 | 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 | 76570 | 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 | 76570 | 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 | 76570 | 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 | 76570 | 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 | 70518 | 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 | 70518 | 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 | 145776 | 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 | 145776 | 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 | 211057 | 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 | 122587 | 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 | 122587 | 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 | 77466 | 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 | 77466 | 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 | 88581 | 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 | 88581 | 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 | 190541 | 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 | 190541 | 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 | 1473 | 6 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
16133814 | 1473 | 6 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
CHEMBL437050 | 1473 | 6 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030119t | ||||
44401581 | 68288 | 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 | 68288 | 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 | 140914 | 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 | 140914 | 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 | 168430 | 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 | 168430 | 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 | 208634 | 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 | 119469 | 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 | 119469 | 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 | 138180 | 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 | 138180 | 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 | 77592 | 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 | 77592 | 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 | 10204 | 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 | 10204 | 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 | 213705 | 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 | 207443 | 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 | 91169 | 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 | 91169 | 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 | 91169 | 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 | 91169 | 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 | 96565 | 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 | 96565 | 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 | 66432 | 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 | 66432 | 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 | 88876 | 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 | 88876 | 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 | 77711 | 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 | 77711 | 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 | 79148 | 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 | 79148 | 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 | 176150 | 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 | 176150 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 3747 | 37 | None | -70 | 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 | 89484 | 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 | 89484 | 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 | 79820 | 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 | 79820 | 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 | 138696 | 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 | 138696 | 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 | 147650 | 0 | None | -1071 | 7 | 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 | 147650 | 0 | None | -1071 | 7 | 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 | 147650 | 0 | None | -1071 | 7 | 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 | 147650 | 0 | None | -1071 | 7 | 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 | 89597 | 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 | 89597 | 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 | 157419 | 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 | 157419 | 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 | 168941 | 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 | 168941 | 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 | 153883 | 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 | 153883 | 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 | 205199 | 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 | 205199 | 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 | 212348 | 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 | 10202 | 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 | 10202 | 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 | 148981 | 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 | 148981 | 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 | 153858 | 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 | 153858 | 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 | 123806 | 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 | 123806 | 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 | 168057 | 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 | 168057 | 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 | 120739 | 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 | 120739 | 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 | 209997 | 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 | 96602 | 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 | 96602 | 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 | 76571 | 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 | 76571 | 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 | 76569 | 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 | 76569 | 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 | 76569 | 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 | 76569 | 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 | 181983 | 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 | 181983 | 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 | 181983 | 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 | 181983 | 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 | 171200 | 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 | 171200 | 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 | 69960 | 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 | 69960 | 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 | 80710 | 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 | 80710 | 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 | 89345 | 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 | 89345 | 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 | 135365 | 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 | 135365 | 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 | 148259 | 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 | 148259 | 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 | 79819 | 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 | 79819 | 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 | 88657 | 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 | 88657 | 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 | 88657 | 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 | 88657 | 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 | 78634 | 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 | 78634 | 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 | 10088 | 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 | 10088 | 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 | 138373 | 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 | 138373 | 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 | 188336 | 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 | 188336 | 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 | 190541 | 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 | 190541 | 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 | 68330 | 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 | 68330 | 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 | 150811 | 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 | 150811 | 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 | 191074 | 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 | 191074 | 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 | 77596 | 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 | 77596 | 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 | 213097 | 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 | 79948 | 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 | 79948 | 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 | 68060 | 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 | 68060 | 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 | 96928 | 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 | 96928 | 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 | 69482 | 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 | 69482 | 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 | 169991 | 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 | 169991 | 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 | 63941 | 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 | 63941 | 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 | 116449 | 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 | 116449 | 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 | 191713 | 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 | 191713 | 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 | 214122 | 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 | 212714 | 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 | 213613 | 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 | 211690 | 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 | 191713 | 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 | 191713 | 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 | 135152 | 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 | 135152 | 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 | 96602 | 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 | 96602 | 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 | 88229 | 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 | 88229 | 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 | 94990 | 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 | 94990 | 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 | 189669 | 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 | 189669 | 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 | 166947 | 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 | 166947 | 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 | 89474 | 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 | 89474 | 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 | 88266 | 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 | 88266 | 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 | 176184 | 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 | 176184 | 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 | 124648 | 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 | 124648 | 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 | 88746 | 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 | 88746 | 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 | 88272 | 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 | 88272 | 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 | 190807 | 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 | 190807 | 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 | 211251 | 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 | 189793 | 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 | 189793 | 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 | 166698 | 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 | 166698 | 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 | 427 | 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 | 427 | 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 | 1911 | 0 | None | -15 | 3 | Human | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
1328 | 1912 | 0 | None | -15 | 4 | Human | 8.3 | pKd | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9832440 | ||||
1333 | 1733 | 0 | None | - | 1 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | ||||
44134812 | 1733 | 0 | None | - | 1 | Human | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | ||||
None | 214558 | 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 | 214558 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 203802 | 73 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 906 | 64 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 3690 | 75 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 205195 | 91 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 502 | 77 | None | -147 | 41 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 394 | 63 | 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 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
16132265 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
3633 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
4931 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
CHEMBL1201610 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
DB01285 | 274 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
None | 214559 | 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 | 214559 | 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 | 3536 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
5416 | 3536 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
9272 | 3536 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
CHEMBL3301624 | 3536 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
DB11700 | 3536 | 18 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
131839615 | 210889 | 20 | 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 | 210889 | 20 | 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 | 210889 | 20 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 712 | 26 | 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 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
16132265 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
3633 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
4931 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
CHEMBL1201610 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
DB01285 | 274 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774675 | ||||
11993702 | 3536 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
5416 | 3536 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
9272 | 3536 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
CHEMBL3301624 | 3536 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
DB11700 | 3536 | 18 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 19646498 | ||||
1325 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
1325 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
1325 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | ||||
6440621 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
6440621 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
6440621 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | ||||
9898183 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
9898183 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
9898183 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | ||||
CHEMBL3422426 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10657491 | ||||
CHEMBL3422426 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12007532 | ||||
CHEMBL3422426 | 3543 | 12 | None | -5 | 7 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7658432 | ||||
1325 | 3543 | 12 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
6440621 | 3543 | 12 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
9898183 | 3543 | 12 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
CHEMBL3422426 | 3543 | 12 | None | -12 | 7 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
1320 | 363 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | ||||
1320 | 363 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
16162729 | 363 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10358030 | ||||
16162729 | 363 | 0 | None | 3 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
1323 | 2649 | 49 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
92432 | 2649 | 49 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
CHEMBL430239 | 2649 | 49 | None | -72 | 3 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
1324 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
16154396 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
16197727 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
44285019 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
57514683 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
91898441 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
CHEMBL441738 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 | ||||
DB04931 | 299 | 23 | None | -2 | 4 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 10493100 |