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PubMed code 19041240

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28104
PNG
(3-cyanoquinoline, 29 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
Show InChI InChI=1S/C33H40ClN7O2S/c1-6-39-12-14-40(15-13-39)11-8-16-43-30-19-28-26(18-29(30)42-5)32(24(20-35)21-36-28)38-25-9-10-31(27(34)17-25)44-33-37-22(3)23(4)41(33)7-2/h9-10,17-19,21H,6-8,11-16H2,1-5H3,(H,36,38)
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n/an/a 9n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28091
PNG
(3-cyanoquinoline, 16 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C29H34ClN7OS/c1-7-37-19(3)18(2)34-29(37)39-27-10-9-21(13-23(27)30)35-28-20(16-31)17-33-24-15-25(26(38-6)14-22(24)28)32-11-8-12-36(4)5/h9-10,13-15,17,32H,7-8,11-12H2,1-6H3,(H,33,35)
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n/an/a 10n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28105
PNG
(3-cyanoquinoline, 30 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H40ClN7O3S/c1-5-41-23(3)22(2)37-33(41)45-31-8-7-25(17-27(31)34)38-32-24(20-35)21-36-28-19-30(29(43-4)18-26(28)32)44-16-6-9-39-10-12-40(13-11-39)14-15-42/h7-8,17-19,21,42H,5-6,9-16H2,1-4H3,(H,36,38)
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n/an/a 11n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28112
PNG
(3-cyanoquinoline, 37 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCC4OCCO4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H39ClN6O4S/c1-6-40-22(3)21(2)37-33(40)45-30-9-8-24(16-26(30)34)38-32-23(19-35)20-36-27-18-29(28(41-5)17-25(27)32)42-13-7-11-39(4)12-10-31-43-14-15-44-31/h8-9,16-18,20,31H,6-7,10-15H2,1-5H3,(H,36,38)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28106
PNG
(3-cyanoquinoline, 31 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCO)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C30H35ClN6O3S/c1-6-37-20(3)19(2)34-30(37)41-28-9-8-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(39-5)15-23(25)29)40-13-7-10-36(4)11-12-38/h8-9,14-16,18,38H,6-7,10-13H2,1-5H3,(H,33,35)
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n/an/a 14n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28110
PNG
(3-cyanoquinoline, 35 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CC(O)CO)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H37ClN6O4S/c1-6-38-20(3)19(2)35-31(38)43-29-9-8-22(12-25(29)32)36-30-21(15-33)16-34-26-14-28(27(41-5)13-24(26)30)42-11-7-10-37(4)17-23(40)18-39/h8-9,12-14,16,23,39-40H,6-7,10-11,17-18H2,1-5H3,(H,34,36)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28111
PNG
(3-cyanoquinoline, 36 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H35ClN6O3S/c1-5-38-21(3)20(2)35-31(38)42-29-8-7-23(15-25(29)32)36-30-22(18-33)19-34-26-17-28(27(39-4)16-24(26)30)41-12-6-9-37-10-13-40-14-11-37/h7-8,15-17,19H,5-6,9-14H2,1-4H3,(H,34,36)
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28115
PNG
(3-cyanoquinoline, 40 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCN(C)CC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C32H39ClN8OS/c1-6-41-22(3)21(2)37-32(41)43-30-9-8-24(16-26(30)33)38-31-23(19-34)20-36-27-18-28(29(42-5)17-25(27)31)35-10-7-11-40-14-12-39(4)13-15-40/h8-9,16-18,20,35H,6-7,10-15H2,1-5H3,(H,36,38)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28114
PNG
(3-cyanoquinoline, 39 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CC4)C(C)=O)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H38ClN7O3S/c1-6-41-22(3)21(2)37-33(41)45-31-9-8-25(16-27(31)34)38-32-24(19-35)20-36-28-18-30(29(43-5)17-26(28)32)44-15-7-10-39-11-13-40(14-12-39)23(4)42/h8-9,16-18,20H,6-7,10-15H2,1-5H3,(H,36,38)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28109
PNG
(3-cyanoquinoline, 34 | {2-[4-(3-{[4-({3-chloro-4-[...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCOC(N)=O)CC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C34H41ClN8O4S/c1-5-43-23(3)22(2)39-34(43)48-31-8-7-25(17-27(31)35)40-32-24(20-36)21-38-28-19-30(29(45-4)18-26(28)32)46-15-6-9-41-10-12-42(13-11-41)14-16-47-33(37)44/h7-8,17-19,21H,5-6,9-16H2,1-4H3,(H2,37,44)(H,38,40)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28095
PNG
(3-cyanoquinoline, 20 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H36ClN7O2S/c1-5-39-21(3)20(2)36-31(39)42-29-8-7-23(15-25(29)32)37-30-22(18-33)19-35-26-17-27(28(40-4)16-24(26)30)34-9-6-10-38-11-13-41-14-12-38/h7-8,15-17,19,34H,5-6,9-14H2,1-4H3,(H,35,37)
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n/an/a 20n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28107
PNG
(3-cyanoquinoline, 32 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)C4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H35ClN6O3S/c1-5-38-20(3)19(2)35-31(38)42-29-8-7-22(13-25(29)32)36-30-21(16-33)17-34-26-15-28(27(40-4)14-24(26)30)41-12-6-10-37-11-9-23(39)18-37/h7-8,13-15,17,23,39H,5-6,9-12,18H2,1-4H3,(H,34,36)
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n/an/a 20n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28098
PNG
(3-cyanoquinoline, 23 | 7-{3-[tert-butyl(2-hydroxye...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(CCO)C(C)(C)C)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H41ClN6O3S/c1-8-40-22(3)21(2)37-32(40)44-30-11-10-24(16-26(30)34)38-31-23(19-35)20-36-27-18-29(28(42-7)17-25(27)31)43-15-9-12-39(13-14-41)33(4,5)6/h10-11,16-18,20,41H,8-9,12-15H2,1-7H3,(H,36,38)
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n/an/a 24n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28096
PNG
(3-cyanoquinoline, 21 | 7-({3-[bis(2-hydroxyethyl)a...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(CCO)CCO)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H38ClN7O3S/c1-5-39-21(3)20(2)36-31(39)43-29-8-7-23(15-25(29)32)37-30-22(18-33)19-35-26-17-27(28(42-4)16-24(26)30)34-9-6-10-38(11-13-40)12-14-41/h7-8,15-17,19,34,40-41H,5-6,9-14H2,1-4H3,(H,35,37)
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n/an/a 26n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28088
PNG
(3-cyanoquinoline, 13 | 4-({3-chloro-4-[(1,4,5-trim...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C28H32ClN7OS/c1-17-18(2)36(5)28(33-17)38-26-9-8-20(12-22(26)29)34-27-19(15-30)16-32-23-14-24(25(37-6)13-21(23)27)31-10-7-11-35(3)4/h8-9,12-14,16,31H,7,10-11H2,1-6H3,(H,32,34)
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n/an/a 26n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28092
PNG
(3-cyanoquinoline, 17 | 4-({3-bromo-4-[(1,4,5-trime...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Br)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C28H32BrN7OS/c1-17-18(2)36(5)28(33-17)38-26-9-8-20(12-22(26)29)34-27-19(15-30)16-32-23-14-24(25(37-6)13-21(23)27)31-10-7-11-35(3)4/h8-9,12-14,16,31H,7,10-11H2,1-6H3,(H,32,34)
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n/an/a 30n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28099
PNG
(3-cyanoquinoline, 24 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)C)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C29H33ClN6O2S/c1-7-36-19(3)18(2)33-29(36)39-27-10-9-21(13-23(27)30)34-28-20(16-31)17-32-24-15-26(25(37-6)14-22(24)28)38-12-8-11-35(4)5/h9-10,13-15,17H,7-8,11-12H2,1-6H3,(H,32,34)
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n/an/a 30n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28103
PNG
(3-cyanoquinoline, 28 | N-(3-{[4-({3-chloro-4-[(1-e...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(C)(=O)=O)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C28H31ClN6O4S2/c1-6-35-18(3)17(2)33-28(35)40-26-9-8-20(12-22(26)29)34-27-19(15-30)16-31-23-14-25(24(38-4)13-21(23)27)39-11-7-10-32-41(5,36)37/h8-9,12-14,16,32H,6-7,10-11H2,1-5H3,(H,31,34)
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n/an/a 31n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28101
PNG
(3-cyanoquinoline, 26 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCC1CCCCN1CCCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(C)c(C)n4CC)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C34H41ClN6O2S/c1-6-26-11-8-9-14-40(26)15-10-16-43-31-19-29-27(18-30(31)42-5)33(24(20-36)21-37-29)39-25-12-13-32(28(35)17-25)44-34-38-22(3)23(4)41(34)7-2/h12-13,17-19,21,26H,6-11,14-16H2,1-5H3,(H,37,39)
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n/an/a 32n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28100
PNG
(3-cyanoquinoline, 25 | 4-(3-{[4-({3-chloro-4-[(1-e...)
Show SMILES CCNC(=O)N1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
Show InChI InChI=1S/C34H41ClN8O3S/c1-6-37-33(44)42-14-12-41(13-15-42)11-8-16-46-30-19-28-26(18-29(30)45-5)32(24(20-36)21-38-28)40-25-9-10-31(27(35)17-25)47-34-39-22(3)23(4)43(34)7-2/h9-10,17-19,21H,6-8,11-16H2,1-5H3,(H,37,44)(H,38,40)
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n/an/a 45n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28113
PNG
(3-cyanoquinoline, 38 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C32H37ClN6O3S/c1-5-39-21(3)20(2)36-32(39)43-30-8-7-23(15-26(30)33)37-31-22(18-34)19-35-27-17-29(28(41-4)16-25(27)31)42-14-6-11-38-12-9-24(40)10-13-38/h7-8,15-17,19,24,40H,5-6,9-14H2,1-4H3,(H,35,37)
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n/an/a 47n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28118
PNG
(3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1
Show InChI InChI=1S/C30H34ClN7O2S/c1-4-37-11-13-38(14-12-37)9-5-15-40-27-18-25-23(17-26(27)39-3)29(21(19-32)20-34-25)35-22-6-7-28(24(31)16-22)41-30-33-8-10-36(30)2/h6-8,10,16-18,20H,4-5,9,11-15H2,1-3H3,(H,34,35)
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28089
PNG
(3-cyanoquinoline, 14 | 4-({4-[(1-benzyl-4,5-dimeth...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4Cc4ccccc4)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C34H36ClN7OS/c1-22-23(2)42(21-24-10-7-6-8-11-24)34(39-22)44-32-13-12-26(16-28(32)35)40-33-25(19-36)20-38-29-18-30(31(43-5)17-27(29)33)37-14-9-15-41(3)4/h6-8,10-13,16-18,20,37H,9,14-15,21H2,1-5H3,(H,38,40)
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n/an/a 65n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 66n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28108
PNG
(3-cyanoquinoline, 33 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCCC4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C31H35ClN6O2S/c1-5-38-21(3)20(2)35-31(38)41-29-10-9-23(15-25(29)32)36-30-22(18-33)19-34-26-17-28(27(39-4)16-24(26)30)40-14-8-13-37-11-6-7-12-37/h9-10,15-17,19H,5-8,11-14H2,1-4H3,(H,34,36)
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n/an/a 67n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28117
PNG
(3-cyanoquinoline, 42 | 4-[(3-chloro-4-{[4,5-dimeth...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C(C)C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C30H36ClN7OS/c1-18(2)38-20(4)19(3)35-30(38)40-28-10-9-22(13-24(28)31)36-29-21(16-32)17-34-25-15-26(27(39-7)14-23(25)29)33-11-8-12-37(5)6/h9-10,13-15,17-18,33H,8,11-12H2,1-7H3,(H,34,36)
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n/an/a 79n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28119
PNG
(3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N
Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(H,32,33)
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n/an/a 88n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28102
PNG
(3-cyanoquinoline, 27 | ethyl 1-(3-{[4-({3-chloro-4...)
Show SMILES CCOC(=O)C1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
Show InChI InChI=1S/C35H41ClN6O4S/c1-6-42-23(4)22(3)39-35(42)47-32-10-9-26(17-28(32)36)40-33-25(20-37)21-38-29-19-31(30(44-5)18-27(29)33)46-16-8-13-41-14-11-24(12-15-41)34(43)45-7-2/h9-10,17-19,21,24H,6-8,11-16H2,1-5H3,(H,38,40)
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n/an/a 135n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28087
PNG
(3-cyanoquinoline, 2 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN(C)CCO)C#N
Show InChI InChI=1S/C27H29ClN6O3S/c1-33(10-11-35)8-4-12-37-24-15-22-20(14-23(24)36-3)26(18(16-29)17-31-22)32-19-5-6-25(21(28)13-19)38-27-30-7-9-34(27)2/h5-7,9,13-15,17,35H,4,8,10-12H2,1-3H3,(H,31,32)
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n/an/a 140n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28121
PNG
(3-cyanoquinoline, 6 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N(C)CCCN(C)C)C#N
Show InChI InChI=1S/C27H30ClN7OS/c1-33(2)10-6-11-34(3)23-15-22-20(14-24(23)36-5)26(18(16-29)17-31-22)32-19-7-8-25(21(28)13-19)37-27-30-9-12-35(27)4/h7-9,12-15,17H,6,10-11H2,1-5H3,(H,31,32)
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n/an/a 150n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28120
PNG
(3-cyanoquinoline, 5 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C26H28ClN7OS/c1-33(2)10-5-8-29-22-14-21-19(13-23(22)35-4)25(17(15-28)16-31-21)32-18-6-7-24(20(27)12-18)36-26-30-9-11-34(26)3/h6-7,9,11-14,16,29H,5,8,10H2,1-4H3,(H,31,32)
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n/an/a 151n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28116
PNG
(3-cyanoquinoline, 41 | 4-({3-chloro-4-[(4,5-dimeth...)
Show SMILES CCCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C30H36ClN7OS/c1-7-12-38-20(3)19(2)35-30(38)40-28-10-9-22(14-24(28)31)36-29-21(17-32)18-34-25-16-26(27(39-6)15-23(25)29)33-11-8-13-37(4)5/h9-10,14-16,18,33H,7-8,11-13H2,1-6H3,(H,34,36)
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n/an/a 189n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28090
PNG
(3-cyanoquinoline, 15 | 4-({3-chloro-4-[(1,5-dimeth...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C27H30ClN7OS/c1-17-15-32-27(35(17)4)37-25-8-7-19(11-21(25)28)33-26-18(14-29)16-31-22-13-23(24(36-5)12-20(22)26)30-9-6-10-34(2)3/h7-8,11-13,15-16,30H,6,9-10H2,1-5H3,(H,31,33)
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n/an/a 291n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28093
PNG
(3-cyanoquinoline, 18 | 7-{[3-(dimethylamino)propyl...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)cc3)c(cnc2cc1NCCCN(C)C)C#N
Show InChI InChI=1S/C28H33N7OS/c1-18-19(2)35(5)28(32-18)37-22-10-8-21(9-11-22)33-27-20(16-29)17-31-24-15-25(26(36-6)14-23(24)27)30-12-7-13-34(3)4/h8-11,14-15,17,30H,7,12-13H2,1-6H3,(H,31,33)
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n/an/a 394n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28127
PNG
(3-cyanoquinoline, 12 | 4-({3-chloro-4-[(1-methyl-1...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H26ClN7OS/c1-32-8-10-34(11-9-32)22-14-21-19(13-23(22)35-3)25(17(15-28)16-30-21)31-18-4-5-24(20(27)12-18)36-26-29-6-7-33(26)2/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,31)
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n/an/a 600n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28126
PNG
(3-cyanoquinoline, 11 | 4-({3-chloro-4-[(1-methyl-1...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C22H18ClN5O2S/c1-28-7-6-25-22(28)31-20-5-4-14(8-16(20)23)27-21-13(11-24)12-26-17-10-19(30-3)18(29-2)9-15(17)21/h4-10,12H,1-3H3,(H,26,27)
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n/an/a 847n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28122
PNG
(3-cyanoquinoline, 7 | 6-methoxy-4-({4-[(1-methyl-1...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H30N6O3S/c1-33-10-8-30-28(33)38-22-6-4-21(5-7-22)32-27-20(18-29)19-31-24-17-26(25(35-2)16-23(24)27)37-13-3-9-34-11-14-36-15-12-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3,(H,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28124
PNG
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28097
PNG
(3-cyanoquinoline, 22 | N-(3-{[4-({3-chloro-4-[(1-e...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(=O)(=O)c4ccccc4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H33ClN6O4S2/c1-5-40-22(3)21(2)38-33(40)45-31-13-12-24(16-27(31)34)39-32-23(19-35)20-36-28-18-30(29(43-4)17-26(28)32)44-15-9-14-37-46(41,42)25-10-7-6-8-11-25/h6-8,10-13,16-18,20,37H,5,9,14-15H2,1-4H3,(H,36,39)
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n/an/a 3.88E+3n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28125
PNG
(3-cyanoquinoline, 10 | 4-{[3-chloro-4-(pyridin-2-y...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H28ClN5O3S/c1-36-25-16-22-24(17-26(25)38-12-4-9-35-10-13-37-14-11-35)33-19-20(18-31)29(22)34-21-6-7-27(23(30)15-21)39-28-5-2-3-8-32-28/h2-3,5-8,15-17,19H,4,9-14H2,1H3,(H,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM28094
PNG
(3-cyanoquinoline, 19 | 4-({3-chloro-4-[(1-ethyl-4,...)
Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCc4ccccc4)c(OC)cc23)C#N)cc1Cl
Show InChI InChI=1S/C33H33ClN6OS/c1-5-40-22(3)21(2)38-33(40)42-31-14-13-25(16-27(31)34)39-32-24(19-35)20-37-28-18-29(30(41-4)17-26(28)32)36-15-9-12-23-10-7-6-8-11-23/h6-8,10-11,13-14,16-18,20,36H,5,9,12,15H2,1-4H3,(H,37,39)
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n/an/a 1.37E+4n/an/an/an/a7.522



Wyeth Research



Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com...

Bioorg Med Chem Lett 19: 62-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%