BDBM224312 3-(6-{[(1r)-1- cyclobutylethyl]amino}-8- (hexahydrocyclopenta[b][1,4]oxazin- 4(4ah)-yl)-7-[1-(trans-4- methylcyclohexyl)ethyl]-7h-purin-2- yl)-1,2,4-oxadiazol-5(4h)-one (stereoisomer 1)::US9540377, 18.38::US9540377, 18.41::US9540377, 18.42

SMILES CC([C@H]1CC[C@H](C)CC1)n1c(N2CCOC3CCCC32)nc2nc(-c3noc(=O)[nH]3)nc(N[C@H](C)C3CCC3)c21

InChI Key InChIKey=IQOOFHYDSYOUEU-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224312   

TargetE3 ubiquitin-protein ligase Mdm2 [17-125](Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 224312BDBM224312(US9540377, 18.38 | 3-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 2.57nMT: 2°CAssay Description:An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2018
Entry Details
US Patent

TargetE3 ubiquitin-protein ligase Mdm2 [17-125](Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 224312BDBM224312(US9540377, 18.38 | 3-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 5.77nMT: 2°CAssay Description:An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2018
Entry Details
US Patent

TargetE3 ubiquitin-protein ligase Mdm2 [17-125](Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 224312BDBM224312(US9540377, 18.38 | 3-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 16.6nMT: 2°CAssay Description:An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2018
Entry Details
US Patent