Reaction Details | |||
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Target | E3 ubiquitin-protein ligase Mdm2 [17-125] | ||
Ligand | BDBM326332 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
IC50 | 4.50±n/a nM | ||
Citation | Dinsmore, C; Fradera Llinas, FX; Kudale, AA; Machacek, M; Reutershan, MH; Thompson, CF; Trotter, BW; Yang, L; Altman, MD; Bogen, SL; Doll, RJ; Voss, ME Substituted pyrrolopyrimidines as HDM2 inhibitors US Patent US9637493 Publication Date 5/2/2017 | ||
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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BDBM326332 | |||
n/a | |||
Name | BDBM326332 | ||
Synonyms: | 3-{4-(5-chloropyridin-3- yl)-6-[(1R or S)-1-fluoro- 1-(3-fluoropyridin-2- yl)ethyl]-5-[(trans-4- methylcyclohexyl)methyl]- 5H-pyrrolo[3,2- d]pyrimidin-2-yl}-1,2,4- oxadiazol-5(4H)-one (Enantiomer 1) | US9637493, 8.5 | US9637493, 8.6 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H26ClF2N7O2 | ||
Mol. Mass. | 566.002 | ||
SMILES | C[C@H]1CC[C@H](Cn2c(cc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;4.93,-.13,;3.6,-.9,;4.37,1.97,;5.91,1.97,;6.68,3.3,;5.91,4.64,;4.37,4.64,;3.6,3.3,;2.06,3.3,;2.49,-4.46,;3.82,-5.23,)| | ||
Structure |