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Target
Cytochrome P450 1A2
Ligand
BDBM50086056
Substrate
n/a
Meas. Tech.
ChEMBL_51356 (CHEMBL666157)
IC50
28000±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 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
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:
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