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Target
Cytochrome P450 2D6
Ligand
BDBM50297342
Substrate
n/a
Meas. Tech.
ChEMBL_583050 (CHEMBL1056549)
IC50
43000±n/a nM
Citation
 Le Bourdonnec, B; Windh, RT; Leister, LK; Zhou, QJ; Ajello, CW; Gu, M; Chu, GH; Tuthill, PA; Barker, WM; Koblish, M; Wiant, DD; Graczyk, TM; Belanger, S; Cassel, JA; Feschenko, MS; Brogdon, BL; Smith, SA; Derelanko, MJ; Kutz, S; Little, PJ; DeHaven, RN; DeHaven-Hudkins, DL; Dolle, RE Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747). J Med Chem 52:5685-702 (2009) [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:
BDBM50297342
Synonyms:
CHEMBL561339 | N,N-Diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C24H28N2O3
Mol. Mass.:
392.4907
SMILES:
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 |t:11|
Structure:
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