BDBM50394846 CHEMBL2165017::US8772480, 35

SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1

InChI Key InChIKey=RNTFRUPRTOCGJO-UHFFFAOYSA-N

Data  8 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50394846   

LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  2nMAssay Description:Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  4nMAssay Description:Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  4nMAssay Description:Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...More data for this Ligand-Target Pair
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  5nMAssay Description:Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  8nMAssay Description:Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spec...More data for this Ligand-Target Pair
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  9nMAssay Description:The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...More data for this Ligand-Target Pair
In DepthDetails US Patent
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  9nMAssay Description:Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataKi:  12nMAssay Description:Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50:  29nMAssay Description:Inhibition of PIK3C2betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >9.00E+3nMAssay Description:Inhibition of human VPS34 after 30 mins by fluorescence-based immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-kinase alpha(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PI4alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-kinase beta(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of PI4betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PIK3C2alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human VPS34More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of DNA-PK after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50:  4.76E+3nMAssay Description:The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50394846(CHEMBL2165017 | US8772480, 35)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of recombinant GST-tagged mTOR-mediated 4EBP1 phosphorylation after 90 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed