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Target
Cytochrome P450 2D6
Ligand
BDBM50327479
Substrate
n/a
Meas. Tech.
ChEMBL_664621 (CHEMBL1260335)
IC50
>50000±n/a nM
Citation
 Richter, HG; Freichel, C; Huwyler, J; Nakagawa, T; Nettekoven, M; Plancher, JM; Raab, S; Roche, O; Schuler, F; Taylor, S; Ullmer, C; Wiegand, R Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold. Bioorg Med Chem Lett 20:5713-7 (2010) [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:
BDBM50327479
Synonyms:
(S)-7-bromo-2-(cyclopropylmethyl)-8-(1-isopropylpiperidin-4-yloxy)-4-methyl-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one | CHEMBL1258079
Type:
Small organic molecule
Emp. Form.:
C24H32BrN3O2
Mol. Mass.:
474.434
SMILES:
CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)N(CC4CC4)C[C@H](C)n3c2cc1Br |r|
Structure:
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