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Target
Cytochrome P450 2D6
Ligand
BDBM50046066
Substrate
n/a
Meas. Tech.
ChEMBL_1458159 (CHEMBL3368205)
IC50
15000±n/a nM
Citation
 Clemens, JJ; Coon, T; Busch, BB; Asgian, JL; Hudson, S; Termin, A; Flores, TB; Tran, D; Chiang, P; Sperry, S; Gross, R; Abt, J; Heim, R; Lechner, S; Twin, H; Studley, J; Brenchley, G; Collier, PN; Pierard, F; Miller, A; Mak, C; Dvornikovs, V; Jimenez, JM; Stamos, D Strategies for the modulation of phase II metabolism in a series of PKCe inhibitors. Bioorg Med Chem Lett 24:3398-402 (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:
BDBM50046066
Synonyms:
CHEMBL3310284
Type:
Small organic molecule
Emp. Form.:
C21H18F3N5O
Mol. Mass.:
413.3957
SMILES:
CC(=O)NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F
Structure:
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