Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50213954'   

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))	BDBM50213954 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CCC(C)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:10.10,2.2| Show InChI InChI=1S/C22H30N2O6S/c1-4-6-14-30-18-8-10-19(11-9-18)31(28,29)16-22(21(26)23-27)12-7-13-24(15-22)20(25)17(3)5-2/h8-11,17,27H,5,7,12-16H2,1-3H3,(H,23,26)	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	520	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair