Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50125050
Substrate
n/a
Meas. Tech.
ChEMBL_1518971 (CHEMBL3626123)
IC50
>20000±n/a nM
Citation
 Martin, RE; Aebi, JD; Hornsperger, B; Krebs, HJ; Kuhn, B; Kuglstatter, A; Alker, AM; Märki, HP; Müller, S; Burger, D; Ottaviani, G; Riboulet, W; Verry, P; Tan, X; Amrein, K; Mayweg, AV Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J Med Chem 58:8054-65 (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:
BDBM50125050
Synonyms:
CHEMBL3623831
Type:
Small organic molecule
Emp. Form.:
C19H19N3O
Mol. Mass.:
305.3737
SMILES:
CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: