Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50197230'   

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))	BDBM50197230 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(5-c...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)C(=O)NO Show InChI InChI=1S/C21H23ClN2O7S3/c1-2-3-14-31-16-4-6-17(7-5-16)33(27,28)15-21(20(25)23-26)10-12-24(13-11-21)34(29,30)19-9-8-18(22)32-19/h4-9,26H,10-15H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
					More data for this Ligand-Target Pair