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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50367924'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interstitial collagenase


(Homo sapiens (Human))
BDBM50367924
PNG
(CHEMBL2369492)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C19H30N3O7P.2K/c1-4-13(3)17(22-30(27,28)29-5-2)19(26)21-15(18(25)20-12-16(23)24)11-14-9-7-6-8-10-14;;/h6-10,13,15,17H,4-5,11-12H2,1-3H3,(H,20,25)(H,21,26)(H,23,24)(H2,22,27,28);;/q;2*+1/p-2/t13-,15-,17-;;/m0../s1
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Similars

PubMed
2.90E+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