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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 = 'BDBM50174947'   
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))
BDBM50174947
PNG
(CHEMBL198487 | methyl (R)-2-(((S)-2-((S)-3-hydroxy...)
Show SMILES COC(=O)Nc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-26(20(16-6-4-3-5-7-16)15-27-11-10-19(28)14-27)23(29)22-13-17-12-18(25-24(30)31-2)8-9-21(17)32-22/h3-9,12,19-20,22,28H,10-11,13-15H2,1-2H3,(H,25,30)/t19-,20+,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP2D6


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair