Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50183729'   

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))	BDBM50183729 (CHEMBL207180 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC(C)(C)C)CC2)c2ccccc2n1 Show InChI InChI=1S/C30H38N4O4/c1-21-17-23(25-7-5-6-8-26(25)31-21)19-38-24-11-9-22(10-12-24)28(36)32-30(18-27(35)33-37)13-15-34(16-14-30)20-29(2,3)4/h5-12,17,37H,13-16,18-20H2,1-4H3,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
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