Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM227658 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
Temperature | 298.15±n/a K | ||
IC50 | 0.623±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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BDBM227658 | |||
n/a | |||
Name | BDBM227658 | ||
Synonyms: | 5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl]-6-(5- chloropyridin-3-yl)-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,3,4- oxadiazol-2(3h)-one (enantiomer 1) | US9540377, 23.73 | US9540377, 23.74 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H28Cl2FN7O3 | ||
Mol. Mass. | 612.482 | ||
SMILES | COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F |r,wU:21.23,wD:24.27,(6.39,-.92,;5.62,.41,;4.08,.41,;4.85,-.92,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;.05,-3.44,;.05,-4.98,;-1.28,-5.75,;-2.62,-4.98,;-3.95,-5.75,;-2.62,-3.44,;.05,-.36,;1.51,-.83,;1.91,-2.32,;3.4,-2.72,;4.49,-1.63,;5.98,-2.03,;6.37,-3.52,;7.86,-3.92,;5.29,-4.61,;3.8,-4.21,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;4.85,1.75,;6.39,1.75,;7.16,3.08,;6.39,4.41,;4.85,4.41,;4.08,5.75,;4.08,3.08,;2.54,3.08,)| | ||
Structure |