BDBM224037 1-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl)meth- yl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purin-2-yl)-3- (methylsulfanyl)pyrrol- idine-3-carboxylic acid::US9540377, 13.10

SMILES CSC1(C(=O)O)CCN(c2nc(N[C@H](C)C3CCC3)c3c(n2)nc(N2CCOC[C@H]2c2ccccc2)n3C[C@H]2CC[C@H](C)CC2)C1

InChI Key InChIKey=XEWHEMWKQFHALJ-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 = 224037   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 224037BDBM224037(US9540377, 13.10 | 1-(6-{[(1r)-1- cyclobutylethyl]...)
Affinity DataIC50: 248nMT: 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