Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2B6' and Ligand = 'BDBM50183075'   

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 2B6 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
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