Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50522622
Substrate
n/a
Meas. Tech.
ChEMBL_1887238 (CHEMBL4388915)
IC50
16000±n/a nM
Citation
 Bischoff, FP; Velter, AI; Minne, G; Pieters, S; Berthelot, D; De Cleyn, M; Gijsen, HJM; Macdonald, G; Surkyn, M; Van Brandt, S; Van Roosbroeck, Y; Zavattaro, C; Mercken, M; Austin, N; Dhuyvetter, D; Borghys, H; Ahmad, I; Samanta, SK Design and synthesis of a novel series of cyanoindole derivatives as potent ?-secretase modulators. Bioorg Med Chem Lett 29:1737-1745 (2019) [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:
BDBM50522622
Synonyms:
CHEMBL4466805
Type:
Small organic molecule
Emp. Form.:
C20H17F4N7O
Mol. Mass.:
447.3889
SMILES:
COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(F)cc(c2)C(F)(F)F)n(C)n1
Structure:
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