Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50195903'   

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))	BDBM50195903 (4-((2-methylquinolin-4-yl)methoxy)-N-((2,4,6-triox...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H36N6O6/c1-20-17-22(24-7-5-6-8-25(24)34-20)18-44-23-11-9-21(10-12-23)26(39)33-19-32(27(40)35-30(43)36-28(32)41)38-15-13-37(14-16-38)29(42)31(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,33,39)(H2,35,36,40,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 Inhibition of MMP2				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
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