Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223702
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.6423±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.:
Target
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:
SQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSEN
Inhibitor
Name:
BDBM223702
Synonyms:
3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(2s)-2- (trifluoromethyl) pyrrolidin-1-yl]-7h- purin-2-yl)-1,2,4- oxadiazol-5(4h)-one | US9540377, 11.128
Type:
Small organic molecule
Emp. Form.:
C26H35F3N8O2
Mol. Mass.:
548.6037
SMILES:
C[C@@H](Nc1nc(nc2nc(N3CCC[C@H]3C(F)(F)F)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.21,wD:24.25,14.15,(-3.96,-1.25,;-2.62,-2.02,;-1.29,-1.25,;-1.29,.29,;-2.62,1.06,;-2.62,2.6,;-1.29,3.37,;.05,2.6,;1.51,3.07,;2.42,1.83,;3.96,1.83,;4.86,.58,;6.33,1.06,;6.33,2.6,;4.86,3.07,;4.09,4.41,;4.86,5.74,;2.55,4.41,;3.32,5.74,;1.51,.58,;1.91,-.91,;3.4,-1.3,;4.49,-.22,;5.97,-.61,;6.37,-2.1,;7.86,-2.5,;5.28,-3.19,;3.8,-2.79,;.05,1.06,;-3.96,3.37,;-4.43,4.83,;-5.97,4.83,;-6.45,3.37,;-7.86,2.59,;-5.2,2.46,;-2.62,-3.56,;-3.71,-4.65,;-2.62,-5.74,;-1.53,-4.65,)|