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Compile Data Set for Download or QSAR

Found 1196 hits with Last Name = 'stevens' and Initial = 'kl'   
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 receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50168297
PNG
(CHEMBL3805760 | US9765060, Compound 96)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C22H18ClN7O/c1-12-15(11-24)19(29-22(25)27-12)26-13(2)20-28-17-10-6-9-16(23)18(17)21(31)30(20)14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H3,25,26,27,29)/t13-/s2
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n/an/a 0.100n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168293
PNG
(CHEMBL3805430)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/s2
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n/an/a 0.100n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168290
PNG
(CHEMBL3805572)
Show SMILES C[C@H](Nc1ncnc(N)c1C#C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C22H17ClN6O/c1-3-15-19(24)25-12-26-20(15)27-13(2)21-28-17-11-7-10-16(23)18(17)22(30)29(21)14-8-5-4-6-9-14/h1,4-13H,2H3,(H3,24,25,26,27)/t13-/s2
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n/an/a 0.100n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168297
PNG
(CHEMBL3805760 | US9765060, Compound 96)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C22H18ClN7O/c1-12-15(11-24)19(29-22(25)27-12)26-13(2)20-28-17-10-6-9-16(23)18(17)21(31)30(20)14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H3,25,26,27,29)/t13-/s2
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n/an/a 0.130n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168299
PNG
(CHEMBL3805664)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
Show InChI InChI=1/C21H16ClFN8O/c1-10(27-18-13(9-24)17(25)29-21(26)30-18)19-28-15-7-3-6-14(22)16(15)20(32)31(19)12-5-2-4-11(23)8-12/h2-8,10H,1H3,(H5,25,26,27,29,30)/t10-/s2
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n/an/a 0.150n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265871
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-4,4-di...)
Show SMILES COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C
Show InChI InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM208826
PNG
(US9266878, 51a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C28H21ClN6O/c1-18(33-26-21(25(30)31-17-32-26)16-15-19-9-4-2-5-10-19)27-34-23-14-8-13-22(29)24(23)28(36)35(27)20-11-6-3-7-12-20/h2-14,17-18H,1H3,(H3,30,31,32,33)/t18-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM208824
PNG
(US9266878, 49a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cn[nH]c1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265847
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccoc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H28N8O4/c1-32(2)13-20(34)33-9-4-5-14-11-19(36-3)17(12-18(14)33)29-25-30-23-15(6-8-27-23)24(31-25)28-16-7-10-37-21(16)22(26)35/h6-8,10-12H,4-5,9,13H2,1-3H3,(H2,26,35)(H3,27,28,29,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265869
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H26N8O3S/c1-31(2)12-19(33)32-8-5-13-10-18(35-3)16(11-17(13)32)28-24-29-22-14(4-7-26-22)23(30-24)27-15-6-9-36-20(15)21(25)34/h4,6-7,9-11H,5,8,12H2,1-3H3,(H2,25,34)(H3,26,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341173
PNG
((S)-2,4-diamino-6-(((5-chloro-4-oxo-3-phenyl-3,4-d...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](c2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)n1
Show InChI InChI=1S/C26H19ClN8O/c27-18-12-7-13-19-20(18)25(36)35(16-10-5-2-6-11-16)24(31-19)21(15-8-3-1-4-9-15)32-23-17(14-28)22(29)33-26(30)34-23/h1-13,21H,(H5,29,30,32,33,34)/t21-/m0/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341219
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(piperi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCCCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H33N9O/c1-19(33-26-22(18-30)25(31)35-29(32)36-26)27-34-23-14-8-10-20(11-9-17-37-15-6-3-7-16-37)24(23)28(39)38(27)21-12-4-2-5-13-21/h2,4-5,8,10,12-14,19H,3,6-7,9,11,15-17H2,1H3,(H5,31,32,33,35,36)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341228
PNG
((S)-2,4-diamino-6-((1-(5-(3-(3,3-difluoropyrrolidi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H28F3N9O/c1-16(35-24-19(14-32)23(33)37-27(34)38-24)25-36-22-20(29)10-9-17(6-5-12-39-13-11-28(30,31)15-39)21(22)26(41)40(25)18-7-3-2-4-8-18/h2-4,7-10,16H,5-6,11-13,15H2,1H3,(H5,33,34,35,37,38)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
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=1/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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50265869
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H26N8O3S/c1-31(2)12-19(33)32-8-5-13-10-18(35-3)16(11-17(13)32)28-24-29-22-14(4-7-26-22)23(30-24)27-15-6-9-36-20(15)21(25)34/h4,6-7,9-11H,5,8,12H2,1-3H3,(H2,25,34)(H3,26,27,28,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168484
PNG
(CHEMBL3805137 | US9765060, Compound Y)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50265869
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H26N8O3S/c1-31(2)12-19(33)32-8-5-13-10-18(35-3)16(11-17(13)32)28-24-29-22-14(4-7-26-22)23(30-24)27-15-6-9-36-20(15)21(25)34/h4,6-7,9-11H,5,8,12H2,1-3H3,(H2,25,34)(H3,26,27,28,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341280
PNG
(N-((3R,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)F
Show InChI InChI=1S/C25H20ClF2N9O2/c26-15-7-4-8-16-18(15)24(39)37(13-5-2-1-3-6-13)22(33-16)17-9-12(32-23(38)19(27)28)11-36(17)21-14(10-29)20(30)34-25(31)35-21/h1-8,12,17,19H,9,11H2,(H,32,38)(H4,30,31,34,35)/t12-,17+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM208793
PNG
(US9266878, 16a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C26H19ClN8O/c1-16(33-24-19(23(28)31-15-32-24)11-10-17-14-29-12-13-30-17)25-34-21-9-5-8-20(27)22(21)26(36)35(25)18-6-3-2-4-7-18/h2-9,12-16H,1H3,(H3,28,31,32,33)/t16-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50168484
PNG
(CHEMBL3805137 | US9765060, Compound Y)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168300
PNG
(CHEMBL3804870)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1/C21H16Cl2N8O/c1-10(27-18-13(9-24)17(25)29-21(26)30-18)19-28-15-7-3-6-14(23)16(15)20(32)31(19)12-5-2-4-11(22)8-12/h2-8,10H,1H3,(H5,25,26,27,29,30)/t10-/s2
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n/an/a 0.450n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168431
PNG
(CHEMBL3805913)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C21H15ClF2N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(22)16(15)20(33)32(19)12-6-10(23)5-11(24)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/s2
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n/an/a 0.470n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341211
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H22FN9O2/c1-12(30-21-15(11-26)20(28)32-24(29)33-21)22-31-19-16(25)9-7-13(8-10-17(27)35)18(19)23(36)34(22)14-5-3-2-4-6-14/h2-7,9,12H,8,10H2,1H3,(H2,27,35)(H5,28,29,30,32,33)/t12-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341210
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H23N9O2/c1-13(29-21-16(12-25)20(27)31-24(28)32-21)22-30-17-9-5-6-14(10-11-18(26)34)19(17)23(35)33(22)15-7-3-2-4-8-15/h2-9,13H,10-11H2,1H3,(H2,26,34)(H5,27,28,29,31,32)/t13-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265872
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccnc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H29N9O3/c1-34(2)14-21(36)35-11-5-6-15-12-20(38-3)18(13-19(15)35)31-26-32-24-16(8-10-29-24)25(33-26)30-17-7-4-9-28-22(17)23(27)37/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H2,27,37)(H3,29,30,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
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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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))
BDBM50265849
PNG
(2-(dimethylamino)-1-(7-(4-(indolin-1-yl)-7H-pyrrol...)
Show SMILES COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C28H31N7O2/c1-33(2)17-25(36)34-13-6-8-19-15-24(37-3)21(16-23(19)34)30-28-31-26-20(10-12-29-26)27(32-28)35-14-11-18-7-4-5-9-22(18)35/h4-5,7,9-10,12,15-16H,6,8,11,13-14,17H2,1-3H3,(H2,29,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341221
PNG
((S)-2,4-diamino-6-((1-(5-(3-(4,4-difluoropiperidin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)CC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H31F2N9O/c1-18(35-25-21(17-32)24(33)37-28(34)38-25)26-36-22-11-5-7-19(8-6-14-39-15-12-29(30,31)13-16-39)23(22)27(41)40(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,33,34,35,37,38)/t18-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM208819
PNG
(US9266878, 44a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/s2
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Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
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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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 delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341227
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(2,2,6,...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H27F4N9O2/c1-16(36-23-19(13-33)22(34)38-26(35)39-23)24-37-20-11-5-7-17(21(20)25(42)41(24)18-9-3-2-4-10-18)8-6-12-40-14-27(29,30)43-28(31,32)15-40/h2-5,7,9-11,16H,6,8,12,14-15H2,1H3,(H5,34,35,36,38,39)/t16-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168427
PNG
(CHEMBL3805887)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(F)F
Show InChI InChI=1/C22H17ClF2N8O/c1-10(29-19-13(9-26)18(27)31-22(28)32-19)20-30-15-7-3-6-14(23)16(15)21(34)33(20)12-5-2-4-11(8-12)17(24)25/h2-8,10,17H,1H3,(H5,27,28,29,31,32)/t10-/s2
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Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
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
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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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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341234
PNG
((S)-2,4-diamino-6-((1-(5-(3-morpholinopropyl)-4-ox...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H31N9O2/c1-18(32-25-21(17-29)24(30)34-28(31)35-25)26-33-22-11-5-7-19(8-6-12-36-13-15-39-16-14-36)23(22)27(38)37(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,30,31,32,34,35)/t18-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341270
PNG
((S)-2-(1-((2-amino-5-iodo-6-methylpyrimidin-4-yl)a...)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1I)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H18ClIN6O/c1-11-17(23)18(28-21(24)26-11)25-12(2)19-27-15-10-6-9-14(22)16(15)20(30)29(19)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H3,24,25,26,28)/t12-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
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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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265850
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccnc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C25H27N9O3/c1-33(2)13-20(35)34-10-7-14-11-19(37-3)17(12-18(14)34)30-25-31-23-15(6-9-28-23)24(32-25)29-16-5-4-8-27-21(16)22(26)36/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H2,26,36)(H3,28,29,30,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341282
PNG
(N-((3R,5S)-5-(5-chloro-3-(3,5-difluorophenyl)-4-ox...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1)NC(=O)C(F)F
Show InChI InChI=1S/C25H18ClF4N9O2/c26-15-2-1-3-16-18(15)24(41)39(13-5-10(27)4-11(28)6-13)22(35-16)17-7-12(34-23(40)19(29)30)9-38(17)21-14(8-31)20(32)36-25(33)37-21/h1-6,12,17,19H,7,9H2,(H,34,40)(H4,32,33,36,37)/t12-,17+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341239
PNG
((S)-2-amino-4-chloro-6-((1-(5-chloro-8-fluoro-4-ox...)
Show SMILES C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H14Cl2FN7O/c1-10(27-18-12(9-25)17(23)29-21(26)30-18)19-28-16-14(24)8-7-13(22)15(16)20(32)31(19)11-5-3-2-4-6-11/h2-8,10H,1H3,(H3,26,27,29,30)/t10-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341226
PNG
((S)-2,4-diamino-6-((1-(5-(3-(3,3-dimethylmorpholin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3(C)C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-18-30(38,2)3)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341225
PNG
((S)-2,4-diamino-6-((1-(5-(3-(2,2-dimethylmorpholin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-30(2,3)18-38)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM341218
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(2-(pyrrol...)
Show SMILES C[C@@H](Cc1cccc2nc(C(C)Nc3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12)N1CCCC1
Show InChI InChI=1S/C28H31N9O/c1-17(36-13-6-7-14-36)15-19-9-8-12-22-23(19)27(38)37(20-10-4-3-5-11-20)26(33-22)18(2)32-25-21(16-29)24(30)34-28(31)35-25/h3-5,8-12,17-18H,6-7,13-15H2,1-2H3,(H5,30,31,32,34,35)/t17-,18?/m0/s1
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Gilead Sciences Inc

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265848
PNG
(2-(dimethylamino)-1-(6-(4-(indolin-1-yl)-7H-pyrrol...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(N2CCc3ccccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29N7O2/c1-32(2)16-24(35)33-12-10-18-14-23(36-3)20(15-22(18)33)29-27-30-25-19(8-11-28-25)26(31-27)34-13-9-17-6-4-5-7-21(17)34/h4-8,11,14-15H,9-10,12-13,16H2,1-3H3,(H2,28,29,30,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
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