Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50174960
Substrate
n/a
Meas. Tech.
ChEMBL_325677 (CHEMBL863231)
IC50
4200±n/a nM
Citation
 Chu, GH; Gu, M; Cassel, JA; Belanger, S; Graczyk, TM; DeHaven, RN; Conway-James, N; Koblish, M; Little, PJ; DeHaven-Hudkins, DL; Dolle, RE Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints. Bioorg Med Chem Lett 15:5114-9 (2005) [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:
BDBM50174960
Synonyms:
CHEMBL197070 | methyl ((R)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamoyl)chroman-6-yl)methylcarbamate
Type:
Small organic molecule
Emp. Form.:
C26H33N3O5
Mol. Mass.:
467.5573
SMILES:
COC(=O)NCc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Structure:
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