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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 = 'BDBM50143969'   
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))		BDBM50143969
PNG
(CHEMBL64583 | N-(2-{4-[3-(4-Bromo-phenoxy)-2-hydro...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)NCC(N1CCN(CC(O)COc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H36BrN3O6S/c1-37-26-12-13-28(38-2)29(18-26)40(35,36)31-19-27(22-6-4-3-5-7-22)33-16-14-32(15-17-33)20-24(34)21-39-25-10-8-23(30)9-11-25/h3-13,18,24,27,31,34H,14-17,19-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 3.00E+4n/an/an/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
Predictive competitive inhibition of cytochrome P450 2D6 was determined in silico

Bioorg Med Chem Lett 14: 2025-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.078
BindingDB Entry DOI: 10.7270/Q22J6B8R
More data for this
Ligand-Target Pair