Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50273424'   

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))	BDBM50273424 (CHEMBL450721 | N-(4-Methoxybenzenesulfonyl)-N-hydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C14H20N2O7S/c1-9(2)13(14(19)15-20)16(8-12(17)18)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,9,13,20H,8H2,1-3H3,(H,15,19)(H,17,18)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior Técnico Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 transfected in mouse melanoma cells				J Med Chem 51: 7968-79 (2008) Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN
					More data for this Ligand-Target Pair