Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50337103
Substrate
n/a
Meas. Tech.
ChEMBL_718763 (CHEMBL1681061)
IC50
11000±n/a nM
Citation
 Shinagawa, Y; Inoue, T; Katsushima, T; Kiguchi, T; Ikenogami, T; Ogawa, N; Fukuda, K; Hirata, K; Harada, K; Takagi, M; Nakagawa, T; Kimura, S; Matsuo, Y; Maekawa, M; Hayashi, M; Soejima, Y; Takahashi, M; Shindo, M Discovery of a Potent and Short−Acting Oral Calcilytic with a Pulsatile Secretion of Parathyroid Hormone ACS Med Chem Lett 2:238-242 (2011) [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:
BDBM50337103
Synonyms:
2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)-3-methylbiphenyl-4-carboxylic acid hemisulfate | CHEMBL1672973
Type:
Small organic molecule
Emp. Form.:
C29H33ClFNO4
Mol. Mass.:
514.028
SMILES:
C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Structure:
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