Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50248347'   

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))	BDBM50248347 (3-((2-(9H-fluoren-9-yl)ethyl)(methyl)amino)-1-(4-(...) Show SMILES CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H31F2N3O/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27(30)28(31)20-21/h2-11,20,26H,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microplate-based direct fluorometric assay				Bioorg Med Chem Lett 19: 1305-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.072 BindingDB Entry DOI: 10.7270/Q2BV7GG2
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