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Target
Cytochrome P450 2D6
Ligand
BDBM50352081
Substrate
n/a
Meas. Tech.
ChEMBL_766616 (CHEMBL1827182)
IC50
>100000±n/a nM
Citation
 Labeeuw, O; Levoin, N; Poupardin-Olivier, O; Calmels, T; Ligneau, X; Berrebi-Bertrand, I; Robert, P; Lecomte, JM; Schwartz, JC; Capet, M Novel and highly potent histamine H3 receptor ligands. Part 2: exploring the cyclohexylamine-based series. Bioorg Med Chem Lett 21:5384-8 (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:
BDBM50352081
Synonyms:
CHEMBL1824230
Type:
Small organic molecule
Emp. Form.:
C22H36N2O
Mol. Mass.:
344.534
SMILES:
CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
Structure:
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