BDBM50439711 CHEMBL2418954

SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F

InChI Key InChIKey=TVUPSIBSWDXJGQ-UHFFFAOYSA-N

Data  11 IC50  1 EC50

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 12 hits for monomerid = 50439711   

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataEC50:  80nMAssay Description:Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of VPS34 (unknown origin) using 1alpha-phosphotidylinositol by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  100nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  270nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using 1alpha-phosphotidylinositol by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50439711(CHEMBL2418954)
Affinity DataIC50:  8.20nMAssay Description:Inhibition of PI3Kgamma (unknown origin) using 1alpha-phosphotidylinositol by luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)