Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50335804'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50335804 (CHEMBL1650636 | N-(8-Hydroxyquinolin-5-yl)benzenes...) Show SMILES Oc1ccc(NS(=O)(=O)c2ccccc2)c2cccnc12 Show InChI InChI=1S/C15H12N2O3S/c18-14-9-8-13(12-7-4-10-16-15(12)14)17-21(19,20)11-5-2-1-3-6-11/h1-10,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 after 30 mins				J Med Chem 54: 591-602 (2011) Article DOI: 10.1021/jm101266s BindingDB Entry DOI: 10.7270/Q2154HBV
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