Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM11554'   

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))	BDBM11554 ((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...) Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...				J Med Chem 47: 2981-3 (2004) Article DOI: 10.1021/jm049833g BindingDB Entry DOI: 10.7270/Q29W0CQB
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