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Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'shotwell' and Initial = 'jb'   
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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27826
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 9 | 4...)
Show SMILES CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
Show InChI InChI=1S/C28H32FN7O2/c1-3-12-36-13-9-17(10-14-36)18-4-7-22(24(15-18)38-2)33-28-34-26-21(8-11-31-26)27(35-28)32-23-16-19(29)5-6-20(23)25(30)37/h4-8,11,15-17H,3,9-10,12-14H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)
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n/an/a 0.300n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448085
PNG
(CHEMBL3121323)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccnc1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-35-23-22(30-36(33,34)19-8-5-11-27-15-19)13-17(14-28-23)16-9-10-21-20(12-16)24(32)31(25(26)29-21)18-6-3-2-4-7-18/h2-15,30H,1H3,(H2,26,29)
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27825
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 8 | 4...)
Show SMILES CCCN1CCCC(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
Show InChI InChI=1S/C28H32FN7O2/c1-3-12-36-13-4-5-18(16-36)17-6-9-22(24(14-17)38-2)33-28-34-26-21(10-11-31-26)27(35-28)32-23-15-19(29)7-8-20(23)25(30)37/h6-11,14-15,18H,3-5,12-13,16H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)
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n/an/a 0.400n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27842
PNG
(4,5-difluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)p...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H30F2N8O2/c1-15(2)36-8-10-37(11-9-36)16-4-5-21(23(12-16)39-3)33-27-34-25-17(6-7-31-25)26(35-27)32-22-14-20(29)19(28)13-18(22)24(30)38/h4-7,12-15H,8-11H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 0.5n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27793
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxy-4...)
Show SMILES COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27FN8O3/c1-13-10-19(37-4)18(11-17(13)29-20(35)12-34(2)3)31-25-32-23-14(8-9-28-23)24(33-25)30-16-7-5-6-15(26)21(16)22(27)36/h5-11H,12H2,1-4H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)
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n/an/a 0.5n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27822
PNG
(2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropy...)
Show SMILES CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|
Show InChI InChI=1S/C28H31N7O2/c1-3-14-35-15-6-7-19(17-35)18-10-11-23(24(16-18)37-2)32-28-33-26-21(12-13-30-26)27(34-28)31-22-9-5-4-8-20(22)25(29)36/h4-5,7-13,16H,3,6,14-15,17H2,1-2H3,(H2,29,36)(H3,30,31,32,33,34)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448094
PNG
(CHEMBL3121314)
Show SMILES Nc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C25H18F2N6O3S/c26-16-7-9-22(19(27)12-16)37(35,36)32-21-11-15(13-30-23(21)28)14-6-8-20-18(10-14)24(34)33(25(29)31-20)17-4-2-1-3-5-17/h1-13,32H,(H2,28,30)(H2,29,31)
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n/an/a 0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27841
PNG
(2,4-difluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)p...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H30F2N8O2/c1-15(2)36-8-10-37(11-9-36)17-4-5-20(22(14-17)39-3)33-27-34-25-18(6-7-31-25)26(35-27)32-21-13-16(28)12-19(29)23(21)24(30)38/h4-7,12-15H,8-11H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 0.800n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27839
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 25 | ...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-22(23(15-18)38-3)32-27-33-25-19(8-9-30-25)26(34-27)31-21-6-4-17(28)14-20(21)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27823
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 6 | 4...)
Show SMILES CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|
Show InChI InChI=1S/C28H30FN7O2/c1-3-12-36-13-4-5-18(16-36)17-6-9-22(24(14-17)38-2)33-28-34-26-21(10-11-31-26)27(35-28)32-23-15-19(29)7-8-20(23)25(30)37/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)
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n/an/a 0.800n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27828
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 11 | ...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-21(23(15-18)38-3)32-27-33-25-20(8-9-30-25)26(34-27)31-22-14-17(28)4-6-19(22)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 0.800n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27815
PNG
(2-fluoro-6-{[2-({6-methoxy-1-[2-(piperidin-1-yl)ac...)
Show SMILES COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C30H33FN8O3/c1-42-24-15-18-7-6-14-39(25(40)17-38-12-3-2-4-13-38)23(18)16-22(24)35-30-36-28-19(10-11-33-28)29(37-30)34-21-9-5-8-20(31)26(21)27(32)41/h5,8-11,15-16H,2-4,6-7,12-14,17H2,1H3,(H2,32,41)(H3,33,34,35,36,37)
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n/an/a 1n/an/an/an/an/an/a



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27803
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(pyrrolidin-1-yl)a...)
Show SMILES COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H29FN8O3/c1-40-22-13-16-8-12-37(23(38)15-36-10-2-3-11-36)21(16)14-20(22)33-28-34-26-17(7-9-31-26)27(35-28)32-19-6-4-5-18(29)24(19)25(30)39/h4-7,9,13-14H,2-3,8,10-12,15H2,1H3,(H2,30,39)(H3,31,32,33,34,35)
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GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27792
PNG
(2-{[2-({5-[2-(dimethylamino)acetamido]-2-methoxyph...)
Show SMILES COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H25FN8O3/c1-33(2)12-19(34)28-13-7-8-18(36-3)17(11-13)30-24-31-22-14(9-10-27-22)23(32-24)29-16-6-4-5-15(25)20(16)21(26)35/h4-11H,12H2,1-3H3,(H2,26,35)(H,28,34)(H3,27,29,30,31,32)
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n/an/a 1n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27804
PNG
(2-{[2-({1-[2-(azetidin-1-yl)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H27FN8O3/c1-39-21-12-15-7-11-36(22(37)14-35-9-3-10-35)20(15)13-19(21)32-27-33-25-16(6-8-30-25)26(34-27)31-18-5-2-4-17(28)23(18)24(29)38/h2,4-6,8,12-13H,3,7,9-11,14H2,1H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 1n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27814
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)14-22(37)36-11-5-6-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(9-10-30-25)26(34-27)31-18-8-4-7-17(28)23(18)24(29)38/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448086
PNG
(CHEMBL3121322)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H20N6O4S/c1-37-25-24(32-38(35,36)21-10-7-17(15-28)8-11-21)14-19(16-30-25)18-9-12-23-22(13-18)26(34)33(27(29)31-23)20-5-3-2-4-6-20/h2-14,16,32H,1H3,(H2,29,31)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27838
PNG
(2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H32N8O2/c1-17(2)34-12-14-35(15-13-34)18-8-9-22(23(16-18)37-3)31-27-32-25-20(10-11-29-25)26(33-27)30-21-7-5-4-6-19(21)24(28)36/h4-11,16-17H,12-15H2,1-3H3,(H2,28,36)(H3,29,30,31,32,33)
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n/an/a 1n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448089
PNG
(CHEMBL3121319)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-8-6-7-11-24(17)37(34,35)31-23-15-19(16-29-25(23)36-2)18-12-13-22-21(14-18)26(33)32(27(28)30-22)20-9-4-3-5-10-20/h3-16,31H,1-2H3,(H2,28,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27799
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H27FN8O3/c1-34(2)13-21(36)35-10-8-14-11-20(38-3)18(12-19(14)35)31-26-32-24-15(7-9-29-24)25(33-26)30-17-6-4-5-16(27)22(17)23(28)37/h4-7,9,11-12H,8,10,13H2,1-3H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 1n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27840
PNG
(2,3-difluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)p...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(F)c(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H30F2N8O2/c1-15(2)36-10-12-37(13-11-36)16-4-6-19(21(14-16)39-3)33-27-34-25-17(8-9-31-25)26(35-27)32-20-7-5-18(28)23(29)22(20)24(30)38/h4-9,14-15H,10-13H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 1.30n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448103
PNG
(CHEMBL3121327)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H21F2N5O4S/c1-34-24-21(30-36(32,33)22-5-3-17(25)12-19(22)26)11-16(13-27-24)15-2-4-20-18(10-15)23(29-14-28-20)31-6-8-35-9-7-31/h2-5,10-14,30H,6-9H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448096
PNG
(CHEMBL3121334)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-22(32-38(35,36)23-10-8-17(27)13-20(23)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27819
PNG
(2-[(2-{[4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl...)
Show SMILES CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)cc1 |c:6|
Show InChI InChI=1S/C27H29N7O/c1-2-15-34-16-5-6-19(17-34)18-9-11-20(12-10-18)30-27-32-25-22(13-14-29-25)26(33-27)31-23-8-4-3-7-21(23)24(28)35/h3-4,6-14H,2,5,15-17H2,1H3,(H2,28,35)(H3,29,30,31,32,33)
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n/an/a 1.60n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27835
PNG
(2-{[2-({5-chloro-2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(N2CCN(CC2)C(C)C)c(Cl)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H30ClFN8O2/c1-15(2)36-9-11-37(12-10-36)21-14-22(39-3)20(13-17(21)28)33-27-34-25-16(7-8-31-25)26(35-27)32-19-6-4-5-18(29)23(19)24(30)38/h4-8,13-15H,9-12H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 1.60n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27820
PNG
(2-[(2-{[2-fluoro-4-(1-propyl-1,2,5,6-tetrahydropyr...)
Show SMILES CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(F)c1 |c:6|
Show InChI InChI=1S/C27H28FN7O/c1-2-13-35-14-5-6-18(16-35)17-9-10-23(21(28)15-17)32-27-33-25-20(11-12-30-25)26(34-27)31-22-8-4-3-7-19(22)24(29)36/h3-4,6-12,15H,2,5,13-14,16H2,1H3,(H2,29,36)(H3,30,31,32,33,34)
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n/an/a 1.60n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27827
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 10 | ...)
Show SMILES CCCN1CCN(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
Show InChI InChI=1S/C27H31FN8O2/c1-3-10-35-11-13-36(14-12-35)18-5-7-21(23(16-18)38-2)32-27-33-25-20(8-9-30-25)26(34-27)31-22-15-17(28)4-6-19(22)24(29)37/h4-9,15-16H,3,10-14H2,1-2H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 1.60n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27829
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 12 | ...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCOCC1
Show InChI InChI=1S/C24H24FN7O3/c1-34-20-13-15(32-8-10-35-11-9-32)3-5-18(20)29-24-30-22-17(6-7-27-22)23(31-24)28-19-12-14(25)2-4-16(19)21(26)33/h2-7,12-13H,8-11H2,1H3,(H2,26,33)(H3,27,28,29,30,31)
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n/an/a 1.60n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27802
PNG
(2-{[2-({1-[2-(diethylamino)acetyl]-5-methoxy-2,3-d...)
Show SMILES CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C28H31FN8O3/c1-4-36(5-2)15-23(38)37-12-10-16-13-22(40-3)20(14-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-6-7-18(29)24(19)25(30)39/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27798
PNG
(2-fluoro-6-{[2-({5-methoxy-1-[2-(methylamino)acety...)
Show SMILES CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C25H25FN8O3/c1-28-12-20(35)34-9-7-13-10-19(37-2)17(11-18(13)34)31-25-32-23-14(6-8-29-23)24(33-25)30-16-5-3-4-15(26)21(16)22(27)36/h3-6,8,10-11,28H,7,9,12H2,1-2H3,(H2,27,36)(H3,29,30,31,32,33)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27817
PNG
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)
Show SMILES CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Show InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
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GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27833
PNG
(2-fluoro-6-{[2-({5-fluoro-2-methoxy-4-[4-(propan-2...)
Show SMILES COc1cc(N2CCN(CC2)C(C)C)c(F)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H30F2N8O2/c1-15(2)36-9-11-37(12-10-36)21-14-22(39-3)20(13-18(21)29)33-27-34-25-16(7-8-31-25)26(35-27)32-19-6-4-5-17(28)23(19)24(30)38/h4-8,13-15H,9-12H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27834
PNG
(2-fluoro-6-{[2-({2-methoxy-5-methyl-4-[4-(propan-2...)
Show SMILES COc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-23(39-4)21(14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448090
PNG
(CHEMBL3121318)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H21N5O4S/c1-35-24-23(30-36(33,34)20-10-6-3-7-11-20)15-18(16-28-24)17-12-13-22-21(14-17)25(32)31(26(27)29-22)19-8-4-2-5-9-19/h2-16,30H,1H3,(H2,27,29)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50448103
PNG
(CHEMBL3121327)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H21F2N5O4S/c1-34-24-21(30-36(32,33)22-5-3-17(25)12-19(22)26)11-16(13-27-24)15-2-4-20-18(10-15)23(29-14-28-20)31-6-8-35-9-7-31/h2-5,10-14,30H,6-9H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured af...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27800
PNG
(2-({2-[(1-{2-[ethyl(methyl)amino]acetyl}-5-methoxy...)
Show SMILES CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
Show InChI InChI=1S/C27H29FN8O3/c1-4-35(2)14-22(37)36-11-9-15-12-21(39-3)19(13-20(15)36)32-27-33-25-16(8-10-30-25)26(34-27)31-18-7-5-6-17(28)23(18)24(29)38/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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n/an/a 3n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27832
PNG
(2-{[2-({2,5-dimethoxy-4-[4-(propan-2-yl)piperazin-...)
Show SMILES COc1cc(N2CCN(CC2)C(C)C)c(OC)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C28H33FN8O3/c1-16(2)36-10-12-37(13-11-36)21-15-22(39-3)20(14-23(21)40-4)33-28-34-26-17(8-9-31-26)27(35-28)32-19-7-5-6-18(29)24(19)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 3.20n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27844
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 30 | ...)
Show SMILES CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
Show InChI InChI=1S/C28H33FN8O2/c1-17(2)36-11-13-37(14-12-36)19-6-8-23(24(16-19)39-4)33-28-34-25-20(9-10-31-25)26(35-28)32-22-7-5-18(29)15-21(22)27(38)30-3/h5-10,15-17H,11-14H2,1-4H3,(H,30,38)(H3,31,32,33,34,35)
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n/an/a 3.20n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27824
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 7 | 4...)
Show SMILES CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC(C)C)c1 |c:6|
Show InChI InChI=1S/C30H34FN7O2/c1-4-13-38-14-5-6-20(17-38)19-7-10-24(26(15-19)40-18(2)3)35-30-36-28-23(11-12-33-28)29(37-30)34-25-16-21(31)8-9-22(25)27(32)39/h6-12,15-16,18H,4-5,13-14,17H2,1-3H3,(H2,32,39)(H3,33,34,35,36,37)
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n/an/a 3.20n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27797
PNG
(2-[(2-{[1-(2-aminoacetyl)-5-methoxy-2,3-dihydro-1H...)
Show SMILES COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H23FN8O3/c1-36-18-9-12-6-8-33(19(34)11-26)17(12)10-16(18)30-24-31-22-13(5-7-28-22)23(32-24)29-15-4-2-3-14(25)20(15)21(27)35/h2-5,7,9-10H,6,8,11,26H2,1H3,(H2,27,35)(H3,28,29,30,31,32)
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n/an/a 4n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27784
PNG
(2-fluoro-6-{[2-({2-methoxy-5-[4-(propan-2-yl)piper...)
Show SMILES COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-22(38-3)21(15-17)32-27-33-25-18(9-10-30-25)26(34-27)31-20-6-4-5-19(28)23(20)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 4n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50448096
PNG
(CHEMBL3121334)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H19F2N5O4S/c1-37-24-22(32-38(35,36)23-10-8-17(27)13-20(23)28)12-16(14-30-24)15-7-9-21-19(11-15)25(34)33(26(29)31-21)18-5-3-2-4-6-18/h2-14,32H,1H3,(H2,29,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured af...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50448088
PNG
(CHEMBL3121320)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccc(C)c1)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C27H23N5O4S/c1-17-7-6-10-21(13-17)37(34,35)31-24-15-19(16-29-25(24)36-2)18-11-12-23-22(14-18)26(33)32(27(28)30-23)20-8-4-3-5-9-20/h3-16,31H,1-2H3,(H2,28,30)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...


J Med Chem 57: 2091-106 (2014)


Article DOI: 10.1021/jm400781h
BindingDB Entry DOI: 10.7270/Q2WH2RG0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50293540
PNG
(1-(3-(5-(4-((2-(dimethylamino)ethyl)carbamoyl)phen...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
Show InChI InChI=1S/C37H34N6O3/c1-43(2)20-19-38-36(44)26-17-15-25(16-18-26)28-22-31-32(24-40-35(31)39-23-28)27-9-8-10-29(21-27)41-37(45)42-33-13-6-7-14-34(33)46-30-11-4-3-5-12-30/h3-18,21-24H,19-20H2,1-2H3,(H,38,44)(H,39,40)(H2,41,42,45)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human IGF1R expressed in Sf9-baculovirus system


Bioorg Med Chem Lett 19: 3136-40 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.110
BindingDB Entry DOI: 10.7270/Q2DV1KSP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50293541
PNG
(1-(3-(5-(3-((2-(dimethylamino)ethyl)carbamoyl)phen...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
Show InChI InChI=1S/C37H34N6O3/c1-43(2)19-18-38-36(44)27-12-8-10-25(20-27)28-22-31-32(24-40-35(31)39-23-28)26-11-9-13-29(21-26)41-37(45)42-33-16-6-7-17-34(33)46-30-14-4-3-5-15-30/h3-17,20-24H,18-19H2,1-2H3,(H,38,44)(H,39,40)(H2,41,42,45)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human IGF1R expressed in Sf9-baculovirus system


Bioorg Med Chem Lett 19: 3136-40 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.110
BindingDB Entry DOI: 10.7270/Q2DV1KSP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27784
PNG
(2-fluoro-6-{[2-({2-methoxy-5-[4-(propan-2-yl)piper...)
Show SMILES COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-22(38-3)21(15-17)32-27-33-25-18(9-10-30-25)26(34-27)31-20-6-4-5-19(28)23(20)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 4n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27836
PNG
(2-fluoro-6-{[2-({3-fluoro-2-methoxy-4-[4-(propan-2...)
Show SMILES COc1c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)ccc(N2CCN(CC2)C(C)C)c1F
Show InChI InChI=1S/C27H30F2N8O2/c1-15(2)36-11-13-37(14-12-36)20-8-7-19(23(39-3)22(20)29)33-27-34-25-16(9-10-31-25)26(35-27)32-18-6-4-5-17(28)21(18)24(30)38/h4-10,15H,11-14H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 4n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27811
PNG
(2-fluoro-6-({2-[(5-methoxy-1-{3-[4-(propan-2-yl)pi...)
Show SMILES COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C32H38FN9O3/c1-19(2)41-15-13-40(14-16-41)11-9-27(43)42-12-8-20-17-26(45-3)24(18-25(20)42)37-32-38-30-21(7-10-35-30)31(39-32)36-23-6-4-5-22(33)28(23)29(34)44/h4-7,10,17-19H,8-9,11-16H2,1-3H3,(H2,34,44)(H3,35,36,37,38,39)
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GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
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