Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50185893'   

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))	BDBM50185893 (4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-trif...) Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H18F3NO6S/c26-25(27,28)17-9-5-15(6-10-17)16-7-11-18(12-8-16)36(34,35)21(24(32)33)13-14-29-22(30)19-3-1-2-4-20(19)23(29)31/h1-12,21H,13-14H2,(H,32,33)	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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 16: 3096-100 (2006) Article DOI: 10.1016/j.bmcl.2006.03.065 BindingDB Entry DOI: 10.7270/Q2M90886
					More data for this Ligand-Target Pair