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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 = 'BDBM50356024'   
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))
BDBM50356024
PNG
(CHEMBL1911541)
Show SMILES Cc1c(COc2cccc(OCC3CCOCC3)n2)nc2ccccc2c1O
Show InChI InChI=1S/C22H24N2O4/c1-15-19(23-18-6-3-2-5-17(18)22(15)25)14-28-21-8-4-7-20(24-21)27-13-16-9-11-26-12-10-16/h2-8,16H,9-14H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6861-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1
More data for this
Ligand-Target Pair