BDBM50240975 CHEMBL4084907

SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F

InChI Key InChIKey=ADGGYDAFIHSYFI-UHFFFAOYSA-N

Data  8 KI  16 IC50  9 Kd

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50240975   

LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  17nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  17nMAssay Description:Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  17nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  17nMAssay Description:Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  62nMAssay Description:Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  62nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  62nMAssay Description:Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKi:  62nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  89nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  451nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  661nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  708nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  33nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  25nMAssay Description:Binding affinity to human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  230nMAssay Description:Binding affinity to human VPS34 (S282 to H879 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  205nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTarget of rapamycin complex 2 subunit MAPKAP1(Homo sapiens)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  139nMAssay Description:Inhibition of mTORC2 in human A2058 cells assessed as reduction in PKB phosphorylation at S473 residues incubated for 1 hr by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTarget of rapamycin complex subunit LST8(Homo sapiens)
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  205nMAssay Description:Inhibition of mTORC1 in human A2058 cells assessed as reduction in ribosomal protein S6 phosphorylation at Ser235/236 residues incubated for 1 hr by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  89nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  33nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  33nMAssay Description:Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  661nMAssay Description:Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence as...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  708nMAssay Description:Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  451nMAssay Description:Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence a...More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  8.49E+3nMAssay Description:Inhibition of VPS34 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataIC50:  8.57E+3nMAssay Description:Inhibition of DNAPK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  11nMAssay Description:Binding affinity to human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-kinase beta(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to human PI4KCbeta (M1 to M828 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to DNAPK (unknown origin) by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  820nMAssay Description:In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  25nMAssay Description:Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(CHEMBL4084907)
Affinity DataKd:  12nMAssay Description:Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed