BDBM50339172 CHEMBL1689404::N3-((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-22-((1H-indol-3-yl)methyl)-13-(4-acetamidobutyl)-34-((S)-1-amino-3-hydroxy-1-oxopropan-2-ylcarbamoyl)-28-(3-amino-3-oxopropyl)-10-benzyl-16,25-bis(3-guanidinopropyl)-19-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-4,31-diisobutyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazaoctatriacontan-38-yl)-1-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxamide

SMILES COC1=CC=C(C=C1)N1N=C(CC1C(N)=O)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O

InChI Key InChIKey=WGRYFAPXRJOIIN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50339172   

TargetE3 ubiquitin-protein ligase Mdm2(Human)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50339172(N3-((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-22...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetProtein Mdm4(Human)
State University of New York

Curated by ChEMBL
LigandPNGBDBM50339172(N3-((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S)-22...)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed