Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50161093
Substrate
n/a
Meas. Tech.
ChEMBL_591457 (CHEMBL1055309)
IC50
0.045000±n/a nM
Citation
Marquis, RW; Lago, AM; Callahan, JF; Rahman, A; Dong, X; Stroup, GB; Hoffman, S; Gowen, M; DelMar, EG; Van Wagenen, BC; Logan, S; Shimizu, S; Fox, J; Nemeth, EF; Roethke, T; Smith, BR; Ward, KW; Bhatnagar, P Antagonists of the calcium receptor. 2. Amino alcohol-based parathyroid hormone secretagogues. J Med Chem 52:6599-605 (2009) [PubMed] Article
More Info.:
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:
BDBM50161093
Synonyms:
(R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propoxy)benzonitrile | 2-Chloro-6-[((2R)-3-([1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino)-2-hydroxypropyl)oxy]benzonitrile hydrochloride | 2-Chloro-6-[(R)-3-(1,1-dimethyl-2-naphthalen-2-yl-ethylamino)-2-hydroxy-propoxy]-benzonitrile | CHEMBL180672 | CHEMBL2112075
Type:
Small organic molecule
Emp. Form.:
C24H25ClN2O2
Mol. Mass.:
408.921
SMILES:
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r|