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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 = 'BDBM50172460'   
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))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
PDB

UniProtKB/SwissProt

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



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2D6 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair