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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Monomerid = 50310810   
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 (2D6)


(Homo sapiens (Human))
BDBM50310810
PNG
(3-(1-(4-chlorophenylcarbamoyl)-3-(4-(trifluorometh...)
Show SMILES OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C22H22ClF3N2O3/c23-17-6-8-18(9-7-17)27-20(31)28-13-1-11-21(14-28,12-10-19(29)30)15-2-4-16(5-3-15)22(24,25)26/h2-9H,1,10-14H2,(H,27,31)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair