Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50170301'   

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)	BDBM50170301 ((S)-2-{4'-[(Benzofuran-2-ylmethyl)-amino]-biphenyl...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NCc2cc3ccccc3o2)cc1)C(O)=O Show InChI InChI=1S/C26H26N2O5S/c1-17(2)25(26(29)30)28-34(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)27-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27-28H,16H2,1-2H3,(H,29,30)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	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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