BDBM220105 6-{[(1r)-1 - cyclopropylethyl]amino}- 8-(3-methylphenyl)-7-[2- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 5.16

SMILES C[C@@H](Nc1nc(nc2nc(-c3cccc(C)c3)n(Cc3ccccc3C(F)(F)F)c12)C(O)=O)C1CC1

InChI Key InChIKey=XZGZYRRWQXUNOS-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 220105   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 220105BDBM220105(US9540377, 5.16 | 6-{[(1r)-1 - cyclopropylethyl]am...)
Affinity DataIC50: 8.33E+3nMT: 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