Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50323798
Substrate
n/a
Meas. Tech.
ChEMBL_647289 (CHEMBL1217495)
IC50
600±n/a nM
Citation
 Ward, SE; Harries, M; Aldegheri, L; Andreotti, D; Ballantine, S; Bax, BD; Harris, AJ; Harker, AJ; Lund, J; Melarange, R; Mingardi, A; Mookherjee, C; Mosley, J; Neve, M; Oliosi, B; Profeta, R; Smith, KJ; Smith, PW; Spada, S; Thewlis, KM; Yusaf, SP Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem 53:5801-12 (2010) [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:
BDBM50323798
Synonyms:
CHEMBL1214336 | N-[5-(3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C17H20N2O2S
Mol. Mass.:
316.418
SMILES:
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1
Structure:
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