Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50090350'   

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))	BDBM50090350 (4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...) Show SMILES CCCCC(CC)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant Matrix metalloproteinase-2.				Bioorg Med Chem Lett 10: 1637-40 (2000) BindingDB Entry DOI: 10.7270/Q20G3JDK
					More data for this Ligand-Target Pair