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Target
Cytochrome P450 1A2
Ligand
BDBM50149548
Substrate
n/a
Meas. Tech.
ChEMBL_1558106 (CHEMBL3771681)
IC50
>10000±n/a nM
Citation
 Heffron, TP; Heald, RA; Ndubaku, C; Wei, B; Augistin, M; Do, S; Edgar, K; Eigenbrot, C; Friedman, L; Gancia, E; Jackson, PS; Jones, G; Kolesnikov, A; Lee, LB; Lesnick, JD; Lewis, C; McLean, N; Mörtl, M; Nonomiya, J; Pang, J; Price, S; Prior, WW; Salphati, L; Sideris, S; Staben, ST; Steinbacher, S; Tsui, V; Wallin, J; Sampath, D; Olivero, AG The Rational Design of Selective Benzoxazepin Inhibitors of thea-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J Med Chem 59:985-1002 (2016) [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:
BDBM50149548
Synonyms:
CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,104 No. 436 | US8242104, Compound 436
Type:
Small organic molecule
Emp. Form.:
C19H22N6O3
Mol. Mass.:
382.4164
SMILES:
CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r|
Structure:
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