BDBM50192880 CHEMBL3984425::US10329299, Compound 21::US10675286, Compound 110::US11541059, Compound 110::US9775844, Compound 4

SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1

InChI Key InChIKey=XUMALORDVCFWKV-UHFFFAOYSA-N

Data  53 IC50  4 Kd

PDB links: 2 PDB IDs match 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 57 hits for monomerid = 50192880   

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 4.00E+3nMAssay Description:A compound's ability in selectively inhibiting PI3K-δ can be assessed using RAJI cells, i.e., B lymphocyte cells derived from lymphoma patie...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 5.00E+3nMAssay Description:A compound's ability in selectively inhibiting PI3K-γ can be assessed using RAW264.7 macrophages. Briefly, serum-starved RAW264.7 cells are ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.00E+3nMAssay Description:A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used speci...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 0.290nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 82nMAssay Description:Inhibition of PI3Kbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 23nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 17nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of DNAPK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:PI3 Kinase α, β, γ or δ activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:PI3 Kinase α, β, γ or δ activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:PI3 Kinase α, β, γ or δ activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.00E+3nMAssay Description:PI3 Kinase α, β, γ or δ activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 0.290nMAssay Description:Inhibition of P13Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C8(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110alpha/p85alpha coexpressed in baculovirus infected Sf9 insect cells using...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataKd:  17nMAssay Description:Binding affinity to human recombinant full length N-terminal His6-tagged PI3K p110alpha/p85alpha coexpressed in baculovirus infected Sf9 insect cells...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataKd:  23nMAssay Description:Binding affinity to human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 180nMAssay Description:Inhibition of PI3Kdelta in IgM-stimulated human Raji cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by sti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of PI3Kgamma in C5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 250nMAssay Description:Inhibition of PI3Kalpha in human SKOV-3 cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110beta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 16nMAssay Description:Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B6(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataKd:  82nMAssay Description:Binding affinity to human recombinant full length N-terminal His6-tagged PI3K p110beta/p85alpha coexpressed in baculovirus infected Sf9 insect cells ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataKd:  0.290nMAssay Description:Binding affinity to human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells by equilibrium fluorescence titration...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 240nMAssay Description:Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Infinity Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50192880(CHEMBL3984425 | US9775844, Compound 4 | US10329299...)
Affinity DataIC50: 2.00E+3nMAssay Description:Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

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