Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50152937'   

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))	BDBM50152937 (1-Isopropyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CC(C)N1CCC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C1)C(=O)NO Show InChI InChI=1S/C27H33N3O5S/c1-18(2)30-13-12-20(25(15-30)27(31)29-32)17-36(33,34)23-10-8-22(9-11-23)35-16-21-14-19(3)28-26-7-5-4-6-24(21)26/h4-11,14,18,20,25,32H,12-13,15-17H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.30E+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 inhibition of Matrix metalloprotease-2 (MMP-2)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
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