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BDBM50367928 CHEMBL2369486

SMILES: [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC([O-])=O

InChI Key: InChIKey=GUEYNPQVQNFVBK-MOUQZGIOSA-L

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367928   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))
BDBM50367928
PNG
(CHEMBL2369486)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C19H30N3O8P.2K/c1-4-12(3)17(22-31(28,29)30-5-2)19(27)21-15(18(26)20-11-16(24)25)10-13-6-8-14(23)9-7-13;;/h6-9,12,15,17,23H,4-5,10-11H2,1-3H3,(H,20,26)(H,21,27)(H,24,25)(H2,22,28,29);;/q;2*+1/p-2/t12-,15-,17-;;/m0../s1
PDB
MMDB

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Similars

PubMed
2.20E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.


J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair