Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50343050'   

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))	BDBM50343050 (4-(4-(4-(4-(dimethylamino)benzoyl)piperidin-1-yl)p...) Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C26H33N3O6S/c1-28(2)21-5-3-19(4-6-21)24(30)20-11-15-29(16-12-20)22-7-9-23(10-8-22)36(33,34)26(25(31)27-32)13-17-35-18-14-26/h3-10,20,32H,11-18H2,1-2H3,(H,27,31)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2				Bioorg Med Chem Lett 21: 2823-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.095 BindingDB Entry DOI: 10.7270/Q2CF9QD0
					More data for this Ligand-Target Pair