Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50170290'   

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
Collagenase 3 (Bos taurus)	BDBM50170290 (CHEMBL189955 | {4'-[(Benzofuran-2-carbonyl)-amino]...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H18N2O6S/c26-22(27)14-24-32(29,30)19-11-7-16(8-12-19)15-5-9-18(10-6-15)25-23(28)21-13-17-3-1-2-4-20(17)31-21/h1-13,24H,14H2,(H,25,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13 of bovine articular cartilage explants				Bioorg Med Chem Lett 15: 4105-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.019 BindingDB Entry DOI: 10.7270/Q2TX3DXK
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