Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50185880'   

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))	BDBM50185880 (4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-isop...) Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O Show InChI InChI=1S/C27H25NO6S/c1-17(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)35(33,34)24(27(31)32)15-16-28-25(29)22-5-3-4-6-23(22)26(28)30/h3-14,17,24H,15-16H2,1-2H3,(H,31,32)	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	0.980	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