Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50108141'   

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))	BDBM50108141 (CHEMBL76757 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(CN1C(=O)NC(C)(C)C1=O)N(O)C=O Show InChI InChI=1S/C22H25N3O6S2/c1-22(2)20(27)24(21(28)23-22)12-17(25(29)14-26)13-33(30,31)19-10-6-16(7-11-19)15-4-8-18(32-3)9-5-15/h4-11,14,17,29H,12-13H2,1-3H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay				J Med Chem 45: 219-32 (2001) BindingDB Entry DOI: 10.7270/Q2XP747B
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