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Compile Data Set for Download or QSAR

Found 2 hits from Diakonhjemmet Hospital   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
UniProtKB/SwissProt

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Diakonhjemmet Hospital

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) assessed as sparteine oxidation


Drug Metab Dispos 40: 1778-84 (2012)


Article DOI: 10.1124/dmd.112.045237
BindingDB Entry DOI: 10.7270/Q26D5VRQ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Diakonhjemmet Hospital

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) assessed as desipramine oxidation


Drug Metab Dispos 40: 1778-84 (2012)


Article DOI: 10.1124/dmd.112.045237
BindingDB Entry DOI: 10.7270/Q26D5VRQ
More data for this
Ligand-Target Pair