BDBM50323730 2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one::2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one::CHEMBL1213116

SMILES Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N

InChI Key InChIKey=GJBJSDBBRWPDBE-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50323730   

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

Curated by ChEMBL
LigandPNGBDBM50323730(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Affinity DataIC50: 8.50E+4nMAssay 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
LigandPNGBDBM50323730(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Affinity DataIC50: 750nMAssay 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
LigandPNGBDBM50323730(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Affinity DataIC50: 1.30E+3nMAssay 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
LigandPNGBDBM50323730(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Affinity DataIC50: 7nMAssay 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
LigandPNGBDBM50323730(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Affinity DataIC50: 7nMAssay Description:Inhibition of PI3KdeltaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)