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Target
Cytochrome P450 1A2
Ligand
BDBM50334940
Substrate
n/a
Meas. Tech.
ChEMBL_702470 (CHEMBL1656984)
IC50
6000±n/a nM
Citation
 Aldegheri, L; Austin, NE; Ballantine, S; Bax, BD; Bradley, DM; Ballini, E; Harries, M; Harris, AJ; Clarke, BP; Mookherjee, C; Harrison, SA; Melarange, RA; Mosley, J; Oliosi, B; Dal Negro, G; Smith, KJ; Thewlis, KM; Ward, SE; Woollard, PM; Yusaf, SP Integration of lead optimization with crystallography for a membrane-bound ion channel target: discovery of a new class of AMPA receptor positive allosteric modulators. J Med Chem 54:78-94 (2011) [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:
BDBM50334940
Synonyms:
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole | CHEMBL1649666
Type:
Small organic molecule
Emp. Form.:
C21H24F3N3O
Mol. Mass.:
391.43
SMILES:
CC(C(=O)N1CCCC1)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F
Structure:
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