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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'nazif' and Initial = 't'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(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 |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
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 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
Cathepsin B


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
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n/an/a 7.30n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/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)
Cathepsin B


(Rattus norvegicus)
BDBM36328
PNG
(Z-FR-AMOK 9b)
Show SMILES [#6]-c1cccc(-[#6])c1-[#6](=O)-[#8]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C33H39N5O6/c1-22-11-9-12-23(2)29(22)31(41)43-21-28(39)26(17-10-18-36-32(34)35)37-30(40)27(19-24-13-5-3-6-14-24)38-33(42)44-20-25-15-7-4-8-16-25/h3-9,11-16,26-27H,10,17-21H2,1-2H3,(H,37,40)(H,38,42)(H4,34,35,36)/t26-,27-/m0/s1
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n/an/a 15n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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))
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)
Cathepsin B


(Rattus norvegicus)
BDBM36327
PNG
(Z-FG-AOMK 9a)
Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H30N2O6/c1-20-10-9-11-21(2)26(20)28(34)36-19-24(32)17-30-27(33)25(16-22-12-5-3-6-13-22)31-29(35)37-18-23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,30,33)(H,31,35)
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n/an/a 120n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
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/ 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/ PDGFR


(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
PI3K-alpha/ Src


(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)
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 |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
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
Cathepsin B


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
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n/an/a 220n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
PI3K-alpha/ Abl


(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))
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))
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 |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
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
Cathepsin B


(Rattus norvegicus)
BDBM36329
PNG
(Z-LG-AOMK 9c)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C26H32N2O6/c1-17(2)13-22(28-26(32)34-15-20-11-6-5-7-12-20)24(30)27-14-21(29)16-33-25(31)23-18(3)9-8-10-19(23)4/h5-12,17,22H,13-16H2,1-4H3,(H,27,30)(H,28,32)/t22-/m0/s1
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n/an/a 920n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
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n/an/a 1.20E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
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)
mTOR/ Src


(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
PI3K-alpha/ EphB4


(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
Cathepsin Z


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
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n/an/a 1.50E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
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))
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))
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))
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))
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))
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))
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)
Cathepsin Z


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
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n/an/a 4.70E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
mTOR/ DNA-PK


(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))
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
Cathepsin H


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
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n/an/a 6.60E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
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
Cathepsin H


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
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n/an/a 7.90E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin H


(Rattus norvegicus)
BDBM36329
PNG
(Z-LG-AOMK 9c)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C26H32N2O6/c1-17(2)13-22(28-26(32)34-15-20-11-6-5-7-12-20)24(30)27-14-21(29)16-33-25(31)23-18(3)9-8-10-19(23)4/h5-12,17,22H,13-16H2,1-4H3,(H,27,30)(H,28,32)/t22-/m0/s1
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n/an/a 7.90E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
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 |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
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
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