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Target
Cytochrome P450 2D6
Ligand
BDBM50461454
Substrate
n/a
Meas. Tech.
ChEMBL_1771383 (CHEMBL4223495)
IC50
42000±n/a nM
Citation
 Healy, MP; Allan, AC; Bailey, K; Billinton, A; Chessell, IP; Clayton, NM; Giblin, GMP; Kay, MA; Khaznadar, T; Michel, AD; Naylor, A; Price, H; Spalding, DJ; Stevens, DA; Swarbrick, ME; Wilson, AW Discovery of {4-[4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-2-fluorophenyl}acetic acid (GSK726701A), a novel EP Bioorg Med Chem Lett 28:1892-1896 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50461454
Synonyms:
CHEMBL4224936
Type:
Small organic molecule
Emp. Form.:
C24H21NO6
Mol. Mass.:
419.4266
SMILES:
CCOc1c2C(=O)N(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1
Structure:
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