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BDBM50443778 CHEMBL3094125

SMILES: CS(=O)(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1

InChI Key: InChIKey=DMLHXMGQTILWCG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443778   
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))
BDBM50443778
PNG
(CHEMBL3094125)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1
Show InChI InChI=1S/C20H30N2O3S/c1-26(23,24)22-13-9-19(10-14-22)25-20-6-5-16-7-11-21(18-3-2-4-18)12-8-17(16)15-20/h5-6,15,18-19H,2-4,7-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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