Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50427869'   

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))	BDBM50427869 (CHEMBL2326365) Show SMILES OC(=O)Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)CF)cc1 Show InChI InChI=1S/C22H18FNO5S/c23-14-21(25)24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)20-4-2-1-3-17(20)13-22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	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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