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Target
Cytochrome P450 2D6
Ligand
BDBM50441652
Substrate
n/a
Meas. Tech.
ChEMBL_986994 (CHEMBL2439314)
IC50
>30000±n/a nM
Citation
 Zeng, Q; Rosenblum, SB; Yang, Z; Jiang, Y; McCormick, KD; Aslanian, RG; Duguma, L; Kozlowski, JA; Shih, NY; Hey, JA; West, RE; Korfmacher, WA; Berlin, M; Boyce, CW Synthesis and SAR studies of benzimidazolone derivatives as histamine H3-receptor antagonists. Bioorg Med Chem Lett 23:6001-3 (2013) [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:
BDBM50441652
Synonyms:
CHEMBL2437433
Type:
Small organic molecule
Emp. Form.:
C28H31FN8O2
Mol. Mass.:
530.5965
SMILES:
Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cnccn3)c2=O)ccn1
Structure:
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