Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM226428 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 9.298±n/a nM | ||
Comments | extracted | ||
Citation | Cammarano, CM; Christopher, MP; Dinsmore, C; Doll, RJ; Fradera Llinas, FX; Li, C; Machacek, M; Martinez, M; Nair, LG; Pan, W; Reutershan, MH; Shizuka, M; Steinhuebel, DP; Sun, B; Thompson, CF; Trotter, BW; Wang, Y; Yang, L; Bogen, SL; Voss, ME; Panda, J; Kurissery, AT 2,6,7,8 substituted purines as HDM2 inhibitors US Patent US9540377 Publication Date 1/10/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
E3 ubiquitin-protein ligase Mdm2 [17-125] | |||
Name: | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Synonyms: | Double minute 2 protein | E3 ubiquitin-protein ligase Mdm2 | MDM2 | MDM2_HUMAN | p53-binding protein Mdm2 | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 12522.24 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Residue 17 to 125 | ||
Residue: | 109 | ||
Sequence: |
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BDBM226428 | |||
n/a | |||
Name | BDBM226428 | ||
Synonyms: | 3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- fluorophenyl)ethyl]-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,2,4- oxadiazol-5(4h)-one (enantiomer 1) | US9540377, 23.34 | US9540377, 23.35 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H26ClF2N7O2 | ||
Mol. Mass. | 566.002 | ||
SMILES | C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)| | ||
Structure |