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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 = 'BDBM50443777'   
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))
BDBM50443777
PNG
(CHEMBL3094127)
Show SMILES Cc1cc(no1)C(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-17-15-23(25-30-17)24(28)27-13-9-21(10-14-27)29-22-6-5-18-7-11-26(20-3-2-4-20)12-8-19(18)16-22/h5-6,15-16,20-21H,2-4,7-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 23: 6897-901 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.089
BindingDB Entry DOI: 10.7270/Q2HM59X6
More data for this
Ligand-Target Pair