Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50297234'   

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))	BDBM50297234 ((S)-3-methyl-2-(4'-(3-methyl-4-morpholinobenzofura...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N4CCOCC4)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C31H33N3O7S/c1-19(2)28(31(36)37)33-42(38,39)24-13-9-22(10-14-24)21-7-11-23(12-8-21)32-30(35)29-20(3)27-25(5-4-6-26(27)41-29)34-15-17-40-18-16-34/h4-14,19,28,33H,15-18H2,1-3H3,(H,32,35)(H,36,37)/t28-/m0/s1	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	1.63E+3	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 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair