Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM224146
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.6578±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:
BDBM224146
Synonyms:
3-{6-(3- chlorophenyl)-8-[2- (1-methoxy-1- methylethyl)pyrrolidin- 1-yl]-7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2-yl}- 1,2,4-oxadiazol- 5(4h)-one (enantiomer 1) | US9540377, 16.65 | US9540377, 16.66
Type:
Small organic molecule
Emp. Form.:
C29H36ClN7O3
Mol. Mass.:
566.094
SMILES:
COC(C)(C)C1CCCN1c1nc2nc(nc(-c3cccc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,wD:30.34,(5.58,5.25,;5.18,3.77,;3.7,3.37,;3.3,4.86,;2.21,2.97,;4.09,1.88,;5.56,1.41,;5.56,-.13,;4.09,-.61,;3.19,.64,;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,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|