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BDBM50443779 CHEMBL3094123

SMILES: C(Oc1ccc2CCN(CCc2c1)C1CCC1)C1CCNCC1

InChI Key: InChIKey=FZXJCOVWXQDATF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443779   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50443779
PNG
(CHEMBL3094123)
Show SMILES C(Oc1ccc2CCN(CCc2c1)C1CCC1)C1CCNCC1
Show InChI InChI=1S/C20H30N2O/c1-2-19(3-1)22-12-8-17-4-5-20(14-18(17)9-13-22)23-15-16-6-10-21-11-7-16/h4-5,14,16,19,21H,1-3,6-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+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