BDBM224670 6-{[(1r)-1- cyclobutylethyl]amino}-8- (2-phenylcyclohexyl)-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid (diastereoisomer a)::US9540377, 21.1::US9540377, 21.12::US9540377, 21.2

SMILES C[C@@H](Nc1nc(nc2nc(C3CCCCC3c3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key InChIKey=XITMAOWBIGSWCM-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224670   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224670BDBM224670(US9540377, 21.1 | US9540377, 21.12 | US9540377, 21...)
Affinity DataIC50: 2.36nMT: 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 224670BDBM224670(US9540377, 21.1 | US9540377, 21.12 | US9540377, 21...)
Affinity DataIC50: 4.57nMT: 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 224670BDBM224670(US9540377, 21.1 | US9540377, 21.12 | US9540377, 21...)
Affinity DataIC50: 10.2nMT: 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