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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 = 'BDBM50196830'   
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))		BDBM50196830
PNG
(CHEMBL3930910)
Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3F)N2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H21ClFNO3S/c1-27(24,25)15-6-4-14(5-7-15)26-20-17-10-13(21)11-18(22)16(17)12-19(20)23-8-2-3-9-23/h4-7,10-11,19-20H,2-3,8-9,12H2,1H3/t19-,20-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<300n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH

J Med Chem 59: 8812-8829 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00624
BindingDB Entry DOI: 10.7270/Q2FX7CDJ
More data for this
Ligand-Target Pair