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Target
Cytochrome P450 1A2
Ligand
BDBM50383725
Substrate
n/a
Meas. Tech.
ChEMBL_821517 (CHEMBL2038185)
IC50
5100±n/a nM
Citation
 Tsuhako, AL; Brown, DS; Koltun, ES; Aay, N; Arcalas, A; Chan, V; Du, H; Engst, S; Franzini, M; Galan, A; Huang, P; Johnston, S; Kane, B; Kim, MH; Laird, AD; Lin, R; Mock, L; Ngan, I; Pack, M; Stott, G; Stout, TJ; Yu, P; Zaharia, C; Zhang, W; Zhou, P; Nuss, JM; Kearney, PC; Xu, W The design, synthesis, and biological evaluation of PIM kinase inhibitors. Bioorg Med Chem Lett 22:3732-8 (2012) [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:
BDBM50383725
Synonyms:
CHEMBL2030386
Type:
Small organic molecule
Emp. Form.:
C15H14BrN3O3
Mol. Mass.:
364.194
SMILES:
O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
Structure:
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