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PubMed code 18849971

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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PubMed
n/an/a 3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-delta


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 8n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ DNA-PK


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 47n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 53n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-beta


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 72n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ p110-delta


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 100n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ p110-beta


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 130n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Hck


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 130n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Src


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 170n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ PDGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 170n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110δ/p85α


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 200n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Abl


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 340n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ DNA-PK


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 410n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ PDGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 410n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110δ/p85α


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 670n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ Hck


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ p110-beta


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ EphB4


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ Src


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-PK/ PDGFR


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ VEGFR2


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ mTOR


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ mTOR


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ p110-beta


(Homo sapiens (human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ EGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ p110-delta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ p110-beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Src Mutant (T338I)


(Homo sapiens (human)-Gallus gallus (Chicken))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ EphB4


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ Abl


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ EGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mTOR/ DNA-PK


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ Src Mutant (T338I)


(Homo sapiens (human)-Gallus gallus (Chicken))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ DNA-PK


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ VEGFR2


(Homo sapiens (human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ Hck


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-delta


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ Src


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ EGFR


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ Abl


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ p110-beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ Src


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ Abl


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ EphB4


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ p110-delta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ VEGFR2


(Homo sapiens (Human)-Homo sapiens (human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ Hck


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-PK/ Src Mutant (T338I)


(Homo sapiens (Human)-Gallus gallus (Chicken))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ Src Mutant (T338I)


(Homo sapiens (human)-Gallus gallus (Chicken))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ EphB4


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ VEGFR2


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ PDGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
p110-delta/ EGFR


(Homo sapiens (human)-Homo sapiens (Human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
mTOR/ p110-delta


(Homo sapiens (human))
BDBM36411
PNG
(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%