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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6 (2D6)' and Ligand = 'BDBM50377225'   
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))
BDBM50377225
PNG
(CHEMBL402805)
Show SMILES CN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:9.19,10.11|
Show InChI InChI=1S/C25H31Cl2N3O2/c1-28(20-9-10-22(26)23(27)16-20)18-25(31)30-11-5-8-21(19-6-3-2-4-7-19)24(30)17-29-12-14-32-15-13-29/h2-4,6-7,9-10,16,21,24H,5,8,11-15,17-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 3500-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7
More data for this
Ligand-Target Pair