Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM11578'   

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))	BDBM11578 (5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyr...) Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1 Show InChI InChI=1S/C17H14Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,9,20H2,(H2,21,22,23)	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	1.00E+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 P3A4				Bioorg Med Chem Lett 14: 3575-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.048 BindingDB Entry DOI: 10.7270/Q27H1J2V
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