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Target
Cytochrome P450 2D6
Ligand
BDBM50395520
Substrate
n/a
Meas. Tech.
ChEMBL_858559 (CHEMBL2166004)
IC50
>10000±n/a nM
Citation
 Liddle, J; Bamborough, P; Barker, MD; Campos, S; Chung, CW; Cousins, RP; Faulder, P; Heathcote, ML; Hobbs, H; Holmes, DS; Ioannou, C; Ramirez-Molina, C; Morse, MA; Osborn, R; Payne, JJ; Pritchard, JM; Rumsey, WL; Tape, DT; Vicentini, G; Whitworth, C; Williamson, RA 4-Phenyl-7-azaindoles as potent, selective and bioavailable IKK2 inhibitors demonstrating good in vivo efficacy. Bioorg Med Chem Lett 22:5222-6 (2012) [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:
BDBM50395520
Synonyms:
CHEMBL2164422
Type:
Small organic molecule
Emp. Form.:
C18H19N3O3S
Mol. Mass.:
357.427
SMILES:
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
Structure:
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