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BDBM217352 GS-9820

SMILES: C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1

InChI Key: InChIKey=DOCINCLJNAXZQF-LBPRGKRZSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 217352   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
PDB

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UniChem
Article
PubMed
n/an/a 5.44E+3n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase p110β (p110β)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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UniChem
Article
PubMed
n/an/a 3.38E+3n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase p110γ (p110γ)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
PDB

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UniChem
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 5-kinase alpha (PIP5Kα)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 5-kinase beta (PIP5Kβ)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase (DNAPK)


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.87E+4n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM217352
PNG
(GS-9820)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.7n/an/an/an/an/an/a



Western University



Assay Description
Biochemical in vitro lipid kinase assays were performed by the SelectScreenŽ biochemical kinase assay service (Invitrogen Ltd.). A stock solution of ...


J Biol Chem 288: 35346-57 (2013)


Article DOI: 10.1074/jbc.M113.507525
BindingDB Entry DOI: 10.7270/Q28051F7
More data for this
Ligand-Target Pair