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Target
Cytochrome P450 1A2
Ligand
BDBM50393342
Substrate
n/a
Meas. Tech.
ChEMBL_850901 (CHEMBL2156884)
IC50
>20000±n/a nM
Citation
 Leahy, JW; Buhr, CA; Johnson, HW; Kim, BG; Baik, T; Cannoy, J; Forsyth, TP; Jeong, JW; Lee, MS; Ma, S; Noson, K; Wang, L; Williams, M; Nuss, JM; Brooks, E; Foster, P; Goon, L; Heald, N; Holst, C; Jaeger, C; Lam, S; Lougheed, J; Nguyen, L; Plonowski, A; Song, J; Stout, T; Wu, X; Yakes, MF; Yu, P; Zhang, W; Lamb, P; Raeber, O Discovery of a novel series of potent and orally bioavailable phosphoinositide 3-kinase¿ inhibitors. J Med Chem 55:5467-82 (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:
BDBM50393342
Synonyms:
CHEMBL2152252
Type:
Small organic molecule
Emp. Form.:
C18H14ClF2N5O3S
Mol. Mass.:
453.85
SMILES:
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Structure:
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