Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50148637'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50148637 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-N2-(2-metho...) Show SMILES COCCN(C)c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H19Cl2N5O/c1-22(5-6-23-2)15-20-13(11(8-18)14(19)21-15)10-4-3-9(16)7-12(10)17/h3-4,7H,5-6,8,18H2,1-2H3,(H2,19,20,21)	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human liver microsome cytochrome P450 3A4				Bioorg Med Chem Lett 14: 3575-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.048 BindingDB Entry DOI: 10.7270/Q27H1J2V
					More data for this Ligand-Target Pair