BDBM50434806 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide::CHEMBL2387080::GDC 0032::GDC-0032::Roche RG7604::Taselisib::US10851091, Compound taselisib::US8242104, Compound 196

SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O

InChI Key InChIKey=BEUQXVWXFDOSAQ-UHFFFAOYSA-N

Data  19 KI  8 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50434806   

LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0790nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0790nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0790nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS as substrate in presence of ATP measured after 120 mins by ADP-Glo assayMore data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0900nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0900nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.0900nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.120nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.290nMAssay Description:Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  0.970nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  1.43nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  1.43nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  9.10nMAssay Description:Inhibition of PI3Kbeta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  23.7nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  23.7nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  53nMAssay Description:PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  53nMAssay Description:The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetSerine/threonine-protein kinase mTOR(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50: >4.80E+3nMAssay Description:Inhibition of DNA-dependent protein kinase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataEC50:  24nMAssay Description:Inhibition of PI3Kalpha H1047R mutant in human HCC1954 cells assessed as reduction in PRAS40 phosphorylation after 24 hrs by electrochemiluminescent ...More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50:  31nMAssay Description:Inhibition of PI3Kalpha in human PC3 cells assessed as reduction of AKT phosphorylationMore data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50:  4nMAssay Description:Inhibition of PI3Kalpha in human MCF7-neo/Her2 cells assessed as reduction of AKT phosphorylation at S473More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50: <0.700nMAssay Description:Inhibition of PI3K alpha (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50: <0.700nMAssay Description:Inhibition of PI3K delta (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PI3KC2alpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50:  292nMAssay Description:Inhibition of PI3KC2beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50434806(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Affinity DataIC50:  374nMAssay Description:Inhibition of human VPS34More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed