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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 = 50274952   
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))
BDBM50274952
PNG
(CHEMBL512551 | ethyl 5-(3-benzylpyrrolidin-3-yl)-1...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C22H24N2O2/c1-2-26-21(25)20-13-17-12-18(8-9-19(17)24-20)22(10-11-23-15-22)14-16-6-4-3-5-7-16/h3-9,12-13,23-24H,2,10-11,14-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence based assay


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair