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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50390236'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50390236
PNG
(CHEMBL2070143)
Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair