Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50227717'   

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))	BDBM50227717 (CHEMBL251916 | N-hydroxy-2-{4-[3'-(2-methoxy-ethox...) Show SMILES COCCOc1cccc(c1)-c1ccc(cc1C)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C25H34N2O6S/c1-18-16-20(8-9-23(18)21-6-5-7-22(17-21)33-15-14-32-4)19-10-12-27(13-11-19)34(30,31)25(2,3)24(28)26-29/h5-9,16-17,19,29H,10-15H2,1-4H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair