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Target
Cytochrome P450 2D6
Ligand
BDBM50146679
Substrate
n/a
Meas. Tech.
ChEMBL_51732 (CHEMBL665267)
IC50
>50000±n/a nM
Citation
 Bolli, MH; Marfurt, J; Grisostomi, C; Boss, C; Binkert, C; Hess, P; Treiber, A; Thorin, E; Morrison, K; Buchmann, S; Bur, D; Ramuz, H; Clozel, M; Fischli, W; Weller, T Novel benzo[1,4]diazepin-2-one derivatives as endothelin receptor antagonists. J Med Chem 47:2776-95 (2004) [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:
BDBM50146679
Synonyms:
(S)-[(S)-5-Biphenyl-3-yl-2-oxo-1-(2,4,6-trifluoro-benzyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid | CHEMBL319754
Type:
Small organic molecule
Emp. Form.:
C36H29F3N4O4
Mol. Mass.:
638.6351
SMILES:
Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2cccc(c2)-c2ccccc2)n1
Structure:
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