Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM224214 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.569±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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BDBM224214 | |||
n/a | |||
Name | BDBM224214 | ||
Synonyms: | 5-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(2r,3r)-2- methyl-3- phenylmorpholin-4- yl]-7h-purin-2-yl}- 1,3,4-oxadiazol- 2(3h)-one | US9540377, 16.133 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H33ClN8O3 | ||
Mol. Mass. | 601.099 | ||
SMILES | C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCO[C@H](C)[C@H]2c2ccccc2)CC1 |r,wU:4.4,32.36,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;6.27,3.08,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| | ||
Structure |