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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 = 'BDBM50372835'   
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))
BDBM50372835
PNG
(CHEMBL258156)
Show SMILES C[C@H](C[C@@H](C)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-18(28-26(35)29-24-8-4-7-22(16-24)25-30-31-32-33(25)3)14-19(2)34-13-5-6-21(17-34)15-20-9-11-23(27)12-10-20/h4,7-12,16,18-19,21H,5-6,13-15,17H2,1-3H3,(H2,28,29,35)/t18-,19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
BindingDB Entry DOI: 10.7270/Q2057GS3
More data for this
Ligand-Target Pair