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Target
Cytochrome P450 2D6
Ligand
BDBM50015547
Substrate
n/a
Meas. Tech.
ChEMBL_1348413 (CHEMBL3265966)
IC50
1100±n/a nM
Citation
 Volgraf, M; Chan, L; Huestis, MP; Purkey, HE; Burkard, M; Geck Do, M; Harris, J; Hunt, KW; Liu, X; Lyssikatos, JP; Rana, S; Thomas, AA; Vigers, GP; Siu, M Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg Med Chem Lett 24:2477-80 (2014) [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:
BDBM50015547
Synonyms:
CHEMBL3265335
Type:
Small organic molecule
Emp. Form.:
C19H18ClN3O3
Mol. Mass.:
371.818
SMILES:
[H][C@]12COCC[C@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 |r,c:13|
Structure:
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