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Target
Cytochrome P450 2D6
Ligand
BDBM50131809
Substrate
n/a
Meas. Tech.
ChEMBL_1525877 (CHEMBL3635363)
IC50
4300±n/a nM
Citation
 Rombouts, FJ; Tresadern, G; Delgado, O; Martínez-Lamenca, C; Van Gool, M; García-Molina, A; Alonso de Diego, SA; Oehlrich, D; Prokopcova, H; Alonso, JM; Austin, N; Borghys, H; Van Brandt, S; Surkyn, M; De Cleyn, M; Vos, A; Alexander, R; Macdonald, G; Moechars, D; Gijsen, H; Trabanco, AA 1,4-Oxazineß-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads. J Med Chem 58:8216-35 (2015) [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:
BDBM50131809
Synonyms:
CHEMBL3634342
Type:
Small organic molecule
Emp. Form.:
C18H15F2N5O2
Mol. Mass.:
371.3408
SMILES:
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Structure:
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