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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 = 'BDBM50325632'   
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))
BDBM50325632
PNG
((7-fluoro-1H-indol-5-yl)(2-propylpyrrolidin-2-yl)m...)
Show SMILES CCCC1(CCCN1)C(=O)c1cc(F)c2[nH]ccc2c1
Show InChI InChI=1S/C16H19FN2O/c1-2-5-16(6-3-7-19-16)15(20)12-9-11-4-8-18-14(11)13(17)10-12/h4,8-10,18-19H,2-3,5-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5559-66 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.020
BindingDB Entry DOI: 10.7270/Q20865HF
More data for this
Ligand-Target Pair