BDBM50323736 2-(3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-ylthio)-N-(quinoxalin-6-yl)acetamide::2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE::CHEMBL1213169

SMILES COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5

InChI Key InChIKey=AXVDURNCPXUGDZ-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50323736   

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL
LigandPNGBDBM50323736(2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDR...)
Affinity DataIC50: 3.44E+3nMAssay Description:Inhibition of p110alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Human)
Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL
LigandPNGBDBM50323736(2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDR...)
Affinity DataIC50: 4.23E+3nMAssay Description:Inhibition of p110betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL
LigandPNGBDBM50323736(2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDR...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of p110gammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL
LigandPNGBDBM50323736(2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDR...)
Affinity DataIC50: 34nMAssay Description:Inhibition of p110deltaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL
LigandPNGBDBM50323736(2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDR...)
Affinity DataIC50: 34nMAssay Description:Inhibition of PI3KdeltaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)