Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50427870'   

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))	BDBM50427870 (CHEMBL2326364) Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FO4S/c21-17-9-5-14(6-10-17)15-7-11-18(12-8-15)26(24,25)19-4-2-1-3-16(19)13-20(22)23/h1-12H,13H2,(H,22,23)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale"Amedeo Avogadro" Curated by ChEMBL					Assay Description Inhibition of MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay				J Med Chem 56: 2676-89 (2013) Article DOI: 10.1021/jm4001743 BindingDB Entry DOI: 10.7270/Q2028SWH
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