Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase Mdm2 [17-125]
Ligand
BDBM223200
Substrate
n/a
Meas. Tech.
FRET Assay
Temperature
298.15±n/a K
IC50
0.6257±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:
BDBM223200
Synonyms:
3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purin-2-yl)- 1,2,4-oxadiazol- 5(4h)-one | US9540377, 11.11
Type:
Small organic molecule
Emp. Form.:
C31H40N8O3
Mol. Mass.:
572.7011
SMILES:
C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.29,wD:15.16,24.25,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.24,-3.5,;4.72,-3.9,;5.81,-2.81,;7.3,-3.21,;5.41,-1.32,;3.93,-.93,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)|