Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50209386'   

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))	BDBM50209386 (2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...) Show SMILES CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O Show InChI InChI=1S/C23H22ClN5O3/c1-12-8-14(22(31)25-2)10-17-20(12)29-21(28-17)19-16(6-7-26-23(19)32)27-11-18(30)13-4-3-5-15(24)9-13/h3-10,18,30H,11H2,1-2H3,(H,25,31)(H,28,29)(H2,26,27,32)	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in microsomes				Bioorg Med Chem Lett 17: 3072-6 (2007) Article DOI: 10.1016/j.bmcl.2007.03.048 BindingDB Entry DOI: 10.7270/Q2F76C71
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