Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50086056
Substrate
n/a
Meas. Tech.
ChEMBL_51715 (CHEMBL663530)
IC50
21000±n/a nM
Citation
 Bromidge, SM; Dabbs, S; Davies, DT; Davies, S; Duckworth, DM; Forbes, IT; Gaster, LM; Ham, P; Jones, GE; King, FD; Mulholland, KR; Saunders, DV; Wyman, PA; Blaney, FE; Clarke, SE; Blackburn, TP; Holland, V; Kennett, GA; Lightowler, S; Middlemiss, DN; Trail, B; Riley, GJ; Wood, MD Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. J Med Chem 43:1123-34 (2000) [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:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50086056
Synonyms:
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (3-fluoro-5-pyridin-3-yl-phenyl)-amide | CHEMBL14276
Type:
Small organic molecule
Emp. Form.:
C22H17F4N3O2
Mol. Mass.:
431.3829
SMILES:
COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: