BDBM224685 3-[6-{[(1r)-1- cyclobutylethyl]amino}-7- [(trans-4- methylcyclohexyl)methyl]- 8-(2-phenylcyclohex-1-en- 1-yl)-7h-purin-2-yl]-1,2,4- oxadiazol-5(4h)-one::US9540377, 21.16

SMILES C[C@@H](Nc1nc(-c2noc(=O)[nH]2)nc2nc(C3=C(c4ccccc4)CCCC3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

InChI Key InChIKey=AIQWSAUOBXLWED-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 224685   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224685BDBM224685(US9540377, 21.16 | 3-[6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 12.2nMT: 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