Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50367934'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50367934 (CHEMBL1744413) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C35H45N4O9P/c1-4-25(3)33(38-49(45,46)48-5-2)35(44)37-30(34(43)36-21-32(41)42)20-26-16-18-29(19-17-26)47-24-31(40)39(22-27-12-8-6-9-13-27)23-28-14-10-7-11-15-28/h6-19,25,30,33H,4-5,20-24H2,1-3H3,(H,36,43)(H,37,44)(H,41,42)(H2,38,45,46)/p-2/t25-,30?,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/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
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