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Target
Cytochrome P450 1A2
Ligand
BDBM50355990
Substrate
n/a
Meas. Tech.
ChEMBL_774981 (CHEMBL1913486)
IC50
>25000±n/a nM
Citation
 Eastwood, P; González, J; Gómez, E; Caturla, F; Aguilar, N; Mir, M; Aiguadé, J; Matassa, V; Balagué, C; Orellana, A; Domínguez, M Indolin-2-one p38a inhibitors III: bioisosteric amide replacement. Bioorg Med Chem Lett 21:6253-7 (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:
BDBM50355990
Synonyms:
CHEMBL1911194 | US8772288, 59
Type:
Small organic molecule
Emp. Form.:
C22H22N4O2
Mol. Mass.:
374.4357
SMILES:
Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Structure:
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