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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
21
hits in this display
Target
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human))
China Pharmaceutical University
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 0.25nM
Assay Description:
Inhibition of mTOR (unknown origin)
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Target
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 0.5nM
Assay Description:
Inhibition of DNA-PK
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Target
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 4.70nM
Assay Description:
Inhibition of P110 alpha/p85alpha
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Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 5.70nM
Assay Description:
Inhibition of P110gamma
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Target
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 8.60nM
Assay Description:
Inhibition of hVPS34
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Target
Target of rapamycin complex subunit LST8
(Homo sapiens)
China Pharmaceutical University
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: <10nM
Assay Description:
Inhibition of N-terminally FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells using S6K1 or Akt1 as substrate after 20 mins by immunoblot...
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Target
Serine-protein kinase ATM
(Homo sapiens (Human))
TBA
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: <10nM
Assay Description:
Inhibition of ATM in human HCT-116 cells preincubated for 1 hr followed by UV radiation and measured after 1 hr by Bradford assay based immunoblottin...
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Target
Target of rapamycin complex 2 subunit MAPKAP1
(Homo sapiens)
China Pharmaceutical University
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: <10nM
Assay Description:
Inhibition of N-terminally FLAG-tagged mTORC2 (unknown origin) expressed in human HeLa cells using S6K1 or Akt1 as substrate after 20 mins by immunob...
More data for this Ligand-Target Pair
Target Info
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Target
Serine/threonine-protein kinase ATR
(Homo sapiens (Human))
TBA
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: <10nM
Assay Description:
Inhibition of ATR in human HCT-116 cells preincubated for 1 hr followed by UV radiation and measured after 1 hr by Bradford assay based immunoblottin...
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Target Info
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Target
Phosphatidylinositol 4-kinase beta
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 18nM
Assay Description:
Inhibition of PI4K beta
More data for this Ligand-Target Pair
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Target
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
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Affinity Data
IC50: 18nM
Assay Description:
Inhibition of P110delta/P85alpha
More data for this Ligand-Target Pair
Target Info
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KEGG
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Target
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
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Affinity Data
IC50: 25nM
Assay Description:
Inhibition of PI3K-C2beta
More data for this Ligand-Target Pair
Target Info
NCI pathway
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KEGG
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Target
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
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Affinity Data
IC50: 28nM
Assay Description:
Inhibition of PI3K-C2alpha
More data for this Ligand-Target Pair
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3D Structure (crystal)
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Target
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human))
Nantong University
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
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Affinity Data
IC50: 620nM
Assay Description:
Inhibition of MNK2 (unknown origin) expressed in HEK293T cells assessed as reduction in eIF4E phosphorylation preincubated for 30 mins followed by AT...
More data for this Ligand-Target Pair
Target Info
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Target
Phosphatidylinositol 4-kinase alpha
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+4nM
Assay Description:
Inhibition of PI4K alpha
More data for this Ligand-Target Pair
Target Info
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CHEMBL
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Target
Serine-protein kinase ATM
(Homo sapiens (Human))
TBA
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 28nM
Assay Description:
Inhibition of ATM in human HCT116 cells assessed as after 1 hr by Western blot analysis
More data for this Ligand-Target Pair
Target Info
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CHEMBL
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PubMed
Copy BDB DOI
Target
Target of rapamycin complex subunit LST8
(Homo sapiens)
China Pharmaceutical University
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 0.25nM
Assay Description:
Inhibition of mTORC1 in human HCT116 cells assessed as reduction in T389 phosphorylation on RPS6KB1 after 1 hr by Western blot analysis
More data for this Ligand-Target Pair
Target Info
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 200nM
Assay Description:
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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CHEMBL
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In Depth
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PubMed
Copy BDB DOI
Target
Serine/threonine-protein kinase ATR
(Homo sapiens (Human))
TBA
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 35nM
Assay Description:
Inhibition of ATR in human HCT116 cells assessed as after 1 hr by Western blot analysis
More data for this Ligand-Target Pair
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Target
Serine/threonine-protein kinase mTOR
(Mus musculus (Mouse))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
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Affinity Data
EC50: 0.25nM
Assay Description:
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting
More data for this Ligand-Target Pair
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Target
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human))
Dana-Farber Cancer Institute
Curated by
ChEMBL
Ligand
BDBM50341209
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 118nM
Assay Description:
Inhibition of DNAPK in human HCT116 cells assessed as after 1 hr by Western blot analysis
More data for this Ligand-Target Pair
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