Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM224295
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.5478±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:
BDBM224295
Synonyms:
6-{[(1r)-1-cyclobutylethyl]amino}- 7-[(trans-4-ethylcyclohexyl)methyl]- 8-[(3r)-3-phenylmorpholin-4-yl]- 7h-purine-2-carboxylic acid | US9540377, 18.21
Type:
Small organic molecule
Emp. Form.:
C31H42N6O3
Mol. Mass.:
546.7036
SMILES:
CC[C@H]1CC[C@H](Cn2c(nc3nc(nc(N[C@H](C)C4CCC4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:16.16,5.5,wD:2.1,31.35,(7.12,-2.12,;6.03,-3.21,;4.54,-2.81,;4.14,-1.32,;2.66,-.93,;1.57,-2.02,;.08,-1.62,;-.32,-.13,;.59,1.12,;-.32,2.36,;-1.78,1.89,;-3.12,2.66,;-4.45,1.89,;-4.45,.35,;-3.12,-.42,;-3.12,-1.96,;-4.45,-2.73,;-5.78,-1.96,;-4.45,-4.27,;-5.54,-5.36,;-4.45,-6.45,;-3.36,-5.36,;-1.78,.35,;-5.78,2.66,;-7.12,1.89,;-5.78,4.2,;2.13,1.12,;2.9,-.22,;4.44,-.22,;5.21,1.12,;4.44,2.45,;2.9,2.45,;2.13,3.78,;2.9,5.12,;2.13,6.45,;.59,6.45,;-.18,5.12,;.59,3.78,;1.97,-3.5,;3.45,-3.9,)|