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Target
Cytochrome P450 1A2
Ligand
BDBM50034555
Substrate
n/a
Meas. Tech.
ChEMBL_1439474 (CHEMBL3381251)
IC50
>50000±n/a nM
Citation
 Skidmore, J; Heer, J; Johnson, CN; Norton, D; Redshaw, S; Sweeting, J; Hurst, D; Cridland, A; Vesey, D; Wall, I; Ahmed, M; Rivers, D; Myatt, J; Giblin, G; Philpott, K; Kumar, U; Stevens, A; Bit, RA; Haynes, A; Taylor, S; Watson, R; Witherington, J; Demont, E; Heightman, TD Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles. J Med Chem 57:10424-42 (2014) [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:
BDBM50034555
Synonyms:
CHEMBL3359847
Type:
Small organic molecule
Emp. Form.:
C26H28N4O4
Mol. Mass.:
460.5249
SMILES:
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Structure:
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