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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 = 'BDBM50499446'   
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))		BDBM50499446
PNG
(CHEMBL3740669)
Show SMILES [H][C@@]12CN(CC3CCN(CC3)C(=O)OC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
Show InChI InChI=1S/C25H35N5O3/c1-16(2)23-27-22(21-6-4-5-9-30(21)23)24(31)26-12-18-19-14-28(15-20(18)19)13-17-7-10-29(11-8-17)25(32)33-3/h4-6,9,16-20H,7-8,10-15H2,1-3H3,(H,26,31)/t18-,19-,20+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.85E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins by LC-MS/MS analysis in presence of NADPH regenerati...

Eur J Med Chem 103: 289-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.051
BindingDB Entry DOI: 10.7270/Q20C4ZST
More data for this
Ligand-Target Pair