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USPatent US9783556

Compile data set for download or QSAR
Found 68 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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345133
PNG
(1-(3-(tert-Butyldimethylsilyl)-1-(p-tolyl)-1H-pyra...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C37H39N7O2Si/c1-25-16-18-27(19-17-25)44-32(24-34(43-44)47(5,6)37(2,3)4)41-36(45)40-30-20-21-31(29-15-11-10-14-28(29)30)46-33-22-23-38-35(42-33)39-26-12-8-7-9-13-26/h7-24H,1-6H3,(H,38,39,42)(H2,40,41,45)
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n/an/a 5n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345134
PNG
(1-(4-((2-((3-(2-Morpholinoethoxy)phenyl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C40H44N8O4Si/c1-28-12-14-30(15-13-28)48-36(27-38(46-48)53(2,3)4)44-40(49)43-34-16-17-35(33-11-6-5-10-32(33)34)52-37-18-19-41-39(45-37)42-29-8-7-9-31(26-29)51-25-22-47-20-23-50-24-21-47/h5-19,26-27H,20-25H2,1-4H3,(H,41,42,45)(H2,43,44,49)
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n/an/a 7n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345140
PNG
(3-Methoxy-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N9O5Si/c1-28-10-12-31(13-11-28)51-37(27-39(49-51)57(3,4)5)47-42(53)46-35-14-15-36(34-9-7-6-8-33(34)35)56-38-16-17-44-41(48-38)45-30-24-29(25-32(26-30)54-2)40(52)43-18-19-50-20-22-55-23-21-50/h6-17,24-27H,18-23H2,1-5H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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n/an/a 10n/an/an/an/an/an/a



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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345134
PNG
(1-(4-((2-((3-(2-Morpholinoethoxy)phenyl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C40H44N8O4Si/c1-28-12-14-30(15-13-28)48-36(27-38(46-48)53(2,3)4)44-40(49)43-34-16-17-35(33-11-6-5-10-32(33)34)52-37-18-19-41-39(45-37)42-29-8-7-9-31(26-29)51-25-22-47-20-23-50-24-21-47/h5-19,26-27H,20-25H2,1-4H3,(H,41,42,45)(H2,43,44,49)
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n/an/a 10n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345143
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)cc4)[Si](C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H44N10O4Si/c1-27-23-29(24-28-26-43-48-39(27)28)44-40-42-16-15-37(47-40)55-35-14-13-34(32-7-5-6-8-33(32)35)45-41(52)46-36-25-38(56(2,3)4)49-51(36)30-9-11-31(12-10-30)54-22-19-50-17-20-53-21-18-50/h5-16,23-26H,17-22H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345149
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H49N7O7Si/c1-29-11-13-31(14-12-29)49-38(28-40(48-49)57(4,5)6)46-42(50)45-36-15-16-37(35-10-8-7-9-34(35)36)56-39-17-18-43-41(47-39)44-30-25-32(52-3)27-33(26-30)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-28H,19-24H2,1-6H3,(H,43,44,47)(H2,45,46,50)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345140
PNG
(3-Methoxy-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N9O5Si/c1-28-10-12-31(13-11-28)51-37(27-39(49-51)57(3,4)5)47-42(53)46-35-14-15-36(34-9-7-6-8-33(34)35)56-38-16-17-44-41(48-38)45-30-24-29(25-32(26-30)54-2)40(52)43-18-19-50-20-22-55-23-21-50/h6-17,24-27H,18-23H2,1-5H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345138
PNG
(1-(4-((2-((2-Oxoindolin-6-yl)amino)pyrimidin-4-yl)...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H34N8O3Si/c1-22-9-13-25(14-10-22)44-31(21-34(43-44)48(2,3)4)41-36(46)40-28-15-16-30(27-8-6-5-7-26(27)28)47-33-17-18-37-35(42-33)38-24-12-11-23-19-32(45)39-29(23)20-24/h5-18,20-21H,19H2,1-4H3,(H,39,45)(H,37,38,42)(H2,40,41,46)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345143
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)cc4)[Si](C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H44N10O4Si/c1-27-23-29(24-28-26-43-48-39(27)28)44-40-42-16-15-37(47-40)55-35-14-13-34(32-7-5-6-8-33(32)35)45-41(52)46-36-25-38(56(2,3)4)49-51(36)30-9-11-31(12-10-30)54-22-19-50-17-20-53-21-18-50/h5-16,23-26H,17-22H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345150
PNG
(3-Ethynyl-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C42H44N10O4Si/c1-6-29-23-30(39(53)43-17-18-51-19-21-55-22-20-51)25-31(24-29)46-40-44-27-45-42(49-40)56-36-16-15-35(33-9-7-8-10-34(33)36)47-41(54)48-37-26-38(57(3,4)5)50-52(37)32-13-11-28(2)12-14-32/h1,7-16,23-27H,17-22H2,2-5H3,(H,43,53)(H2,47,48,54)(H,44,45,46,49)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345136
PNG
(1-(4-((2-((3-Aminobenzo[d]isoxazol-5-yl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4onc(N)c4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O3Si/c1-21-9-12-23(13-10-21)44-30(20-32(42-44)48(2,3)4)40-35(45)39-27-14-16-28(25-8-6-5-7-24(25)27)46-31-17-18-37-34(41-31)38-22-11-15-29-26(19-22)33(36)43-47-29/h5-20H,1-4H3,(H2,36,43)(H,37,38,41)(H2,39,40,45)
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Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345146
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H42Cl2N8O5Si/c1-24-6-8-26(9-7-24)47-31(23-33(45-47)53(3,4)5)43-37(48)42-29-10-11-30(35(39)34(29)38)52-32-12-13-40-36(44-32)41-25-20-27(49-2)22-28(21-25)51-19-16-46-14-17-50-18-15-46/h6-13,20-23H,14-19H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345135
PNG
(1-[4-[2-(1H-Indazol-5-ylamino)pyrimidin-4-yl]oxy-1...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O2Si/c1-22-9-12-25(13-10-22)44-31(20-33(43-44)47(2,3)4)40-35(45)39-29-15-16-30(27-8-6-5-7-26(27)29)46-32-17-18-36-34(41-32)38-24-11-14-28-23(19-24)21-37-42-28/h5-21H,1-4H3,(H,37,42)(H,36,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345146
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H42Cl2N8O5Si/c1-24-6-8-26(9-7-24)47-31(23-33(45-47)53(3,4)5)43-37(48)42-29-10-11-30(35(39)34(29)38)52-32-12-13-40-36(44-32)41-25-20-27(49-2)22-28(21-25)51-19-16-46-14-17-50-18-15-46/h6-13,20-23H,14-19H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345150
PNG
(3-Ethynyl-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C42H44N10O4Si/c1-6-29-23-30(39(53)43-17-18-51-19-21-55-22-20-51)25-31(24-29)46-40-44-27-45-42(49-40)56-36-16-15-35(33-9-7-8-10-34(33)36)47-41(54)48-37-26-38(57(3,4)5)50-52(37)32-13-11-28(2)12-14-32/h1,7-16,23-27H,17-22H2,2-5H3,(H,43,53)(H2,47,48,54)(H,44,45,46,49)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345120
PNG
(1-(4-((2-(Phenylamino)pyrimidin-4-yl)oxy)naphthale...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C34H33N7O2Si/c1-23-14-16-25(17-15-23)41-30(22-32(40-41)44(2,3)4)38-34(42)37-28-18-19-29(27-13-9-8-12-26(27)28)43-31-20-21-35-33(39-31)36-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,35,36,39)(H2,37,38,42)
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n/an/a 77n/an/an/an/an/an/a



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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345136
PNG
(1-(4-((2-((3-Aminobenzo[d]isoxazol-5-yl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4onc(N)c4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O3Si/c1-21-9-12-23(13-10-21)44-30(20-32(42-44)48(2,3)4)40-35(45)39-27-14-16-28(25-8-6-5-7-24(25)27)46-31-17-18-37-34(41-31)38-22-11-15-29-26(19-22)33(36)43-47-29/h5-20H,1-4H3,(H2,36,43)(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345149
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H49N7O7Si/c1-29-11-13-31(14-12-29)49-38(28-40(48-49)57(4,5)6)46-42(50)45-36-15-16-37(35-10-8-7-9-34(35)36)56-39-17-18-43-41(47-39)44-30-25-32(52-3)27-33(26-30)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-28H,19-24H2,1-6H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345130
PNG
(1-(1-(6-Methoxypyridin-3-yl)-3-(trimethylsilyl)-1H...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O3Si/c1-43-29-17-14-23(21-35-29)41-28(20-31(40-41)45(2,3)4)38-33(42)37-26-15-16-27(25-13-9-8-12-24(25)26)44-30-18-19-34-32(39-30)36-22-10-6-5-7-11-22/h5-21H,1-4H3,(H,34,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345141
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H46N8O5Si/c1-28-10-12-30(13-11-28)49-37(27-39(47-49)55(3,4)5)45-41(50)44-35-14-15-36(34-9-7-6-8-33(34)35)54-38-16-17-42-40(46-38)43-29-24-31(51-2)26-32(25-29)53-23-20-48-18-21-52-22-19-48/h6-17,24-27H,18-23H2,1-5H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345150
PNG
(3-Ethynyl-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C42H44N10O4Si/c1-6-29-23-30(39(53)43-17-18-51-19-21-55-22-20-51)25-31(24-29)46-40-44-27-45-42(49-40)56-36-16-15-35(33-9-7-8-10-34(33)36)47-41(54)48-37-26-38(57(3,4)5)50-52(37)32-13-11-28(2)12-14-32/h1,7-16,23-27H,17-22H2,2-5H3,(H,43,53)(H2,47,48,54)(H,44,45,46,49)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345144
PNG
(1-(3-(Ethyldimethylsilyl)-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES CC[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H35N7O2Si/c1-5-45(3,4)33-23-31(42(41-33)26-17-15-24(2)16-18-26)39-35(43)38-29-19-20-30(28-14-10-9-13-27(28)29)44-32-21-22-36-34(40-32)37-25-11-7-6-8-12-25/h6-23H,5H2,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345130
PNG
(1-(1-(6-Methoxypyridin-3-yl)-3-(trimethylsilyl)-1H...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O3Si/c1-43-29-17-14-23(21-35-29)41-28(20-31(40-41)45(2,3)4)38-33(42)37-26-15-16-27(25-13-9-8-12-24(25)26)44-30-18-19-34-32(39-30)36-22-10-6-5-7-11-22/h5-21H,1-4H3,(H,34,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345137
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H35N9O2Si/c1-22-10-12-26(13-11-22)45-31(20-33(44-45)48(3,4)5)41-36(46)40-29-14-15-30(28-9-7-6-8-27(28)29)47-32-16-17-37-35(42-32)39-25-18-23(2)34-24(19-25)21-38-43-34/h6-21H,1-5H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345140
PNG
(3-Methoxy-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N9O5Si/c1-28-10-12-31(13-11-28)51-37(27-39(49-51)57(3,4)5)47-42(53)46-35-14-15-36(34-9-7-6-8-33(34)35)56-38-16-17-44-41(48-38)45-30-24-29(25-32(26-30)54-2)40(52)43-18-19-50-20-22-55-23-21-50/h6-17,24-27H,18-23H2,1-5H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345120
PNG
(1-(4-((2-(Phenylamino)pyrimidin-4-yl)oxy)naphthale...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C34H33N7O2Si/c1-23-14-16-25(17-15-23)41-30(22-32(40-41)44(2,3)4)38-34(42)37-28-18-19-29(27-13-9-8-12-26(27)28)43-31-20-21-35-33(39-31)36-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,35,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345141
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H46N8O5Si/c1-28-10-12-30(13-11-28)49-37(27-39(47-49)55(3,4)5)45-41(50)44-35-14-15-36(34-9-7-6-8-33(34)35)54-38-16-17-42-40(46-38)43-29-24-31(51-2)26-32(25-29)53-23-20-48-18-21-52-22-19-48/h6-17,24-27H,18-23H2,1-5H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345149
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H49N7O7Si/c1-29-11-13-31(14-12-29)49-38(28-40(48-49)57(4,5)6)46-42(50)45-36-15-16-37(35-10-8-7-9-34(35)36)56-39-17-18-43-41(47-39)44-30-25-32(52-3)27-33(26-30)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-28H,19-24H2,1-6H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345131
PNG
(1-(1-(4-(2-Morpholinoethoxy)phenyl)-3-(trimethylsi...)
Show SMILES C[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C39H42N8O4Si/c1-52(2,3)37-27-35(47(45-37)29-13-15-30(16-14-29)50-26-23-46-21-24-49-25-22-46)43-39(48)42-33-17-18-34(32-12-8-7-11-31(32)33)51-36-19-20-40-38(44-36)41-28-9-5-4-6-10-28/h4-20,27H,21-26H2,1-3H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345143
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)cc4)[Si](C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H44N10O4Si/c1-27-23-29(24-28-26-43-48-39(27)28)44-40-42-16-15-37(47-40)55-35-14-13-34(32-7-5-6-8-33(32)35)45-41(52)46-36-25-38(56(2,3)4)49-51(36)30-9-11-31(12-10-30)54-22-19-50-17-20-53-21-18-50/h5-16,23-26H,17-22H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345143
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)cc4)[Si](C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H44N10O4Si/c1-27-23-29(24-28-26-43-48-39(27)28)44-40-42-16-15-37(47-40)55-35-14-13-34(32-7-5-6-8-33(32)35)45-41(52)46-36-25-38(56(2,3)4)49-51(36)30-9-11-31(12-10-30)54-22-19-50-17-20-53-21-18-50/h5-16,23-26H,17-22H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345136
PNG
(1-(4-((2-((3-Aminobenzo[d]isoxazol-5-yl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4onc(N)c4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O3Si/c1-21-9-12-23(13-10-21)44-30(20-32(42-44)48(2,3)4)40-35(45)39-27-14-16-28(25-8-6-5-7-24(25)27)46-31-17-18-37-34(41-31)38-22-11-15-29-26(19-22)33(36)43-47-29/h5-20H,1-4H3,(H2,36,43)(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345134
PNG
(1-(4-((2-((3-(2-Morpholinoethoxy)phenyl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C40H44N8O4Si/c1-28-12-14-30(15-13-28)48-36(27-38(46-48)53(2,3)4)44-40(49)43-34-16-17-35(33-11-6-5-10-32(33)34)52-37-18-19-41-39(45-37)42-29-8-7-9-31(26-29)51-25-22-47-20-23-50-24-21-47/h5-19,26-27H,20-25H2,1-4H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345149
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H49N7O7Si/c1-29-11-13-31(14-12-29)49-38(28-40(48-49)57(4,5)6)46-42(50)45-36-15-16-37(35-10-8-7-9-34(35)36)56-39-17-18-43-41(47-39)44-30-25-32(52-3)27-33(26-30)55-24-23-54-22-21-53-20-19-51-2/h7-18,25-28H,19-24H2,1-6H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345141
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H46N8O5Si/c1-28-10-12-30(13-11-28)49-37(27-39(47-49)55(3,4)5)45-41(50)44-35-14-15-36(34-9-7-6-8-33(34)35)54-38-16-17-42-40(46-38)43-29-24-31(51-2)26-32(25-29)53-23-20-48-18-21-52-22-19-48/h6-17,24-27H,18-23H2,1-5H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345130
PNG
(1-(1-(6-Methoxypyridin-3-yl)-3-(trimethylsilyl)-1H...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O3Si/c1-43-29-17-14-23(21-35-29)41-28(20-31(40-41)45(2,3)4)38-33(42)37-26-15-16-27(25-13-9-8-12-24(25)26)44-30-18-19-34-32(39-30)36-22-10-6-5-7-11-22/h5-21H,1-4H3,(H,34,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345148
PNG
(1-(4-((2-((1-Oxoisoindolin-5-yl)amino)pyrimidin-4-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4C(=O)NCc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H34N8O3Si/c1-22-9-12-25(13-10-22)44-31(20-33(43-44)48(2,3)4)41-36(46)40-29-15-16-30(28-8-6-5-7-27(28)29)47-32-17-18-37-35(42-32)39-24-11-14-26-23(19-24)21-38-34(26)45/h5-20H,21H2,1-4H3,(H,38,45)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345131
PNG
(1-(1-(4-(2-Morpholinoethoxy)phenyl)-3-(trimethylsi...)
Show SMILES C[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C39H42N8O4Si/c1-52(2,3)37-27-35(47(45-37)29-13-15-30(16-14-29)50-26-23-46-21-24-49-25-22-46)43-39(48)42-33-17-18-34(32-12-8-7-11-31(32)33)51-36-19-20-40-38(44-36)41-28-9-5-4-6-10-28/h4-20,27H,21-26H2,1-3H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345137
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H35N9O2Si/c1-22-10-12-26(13-11-22)45-31(20-33(44-45)48(3,4)5)41-36(46)40-29-14-15-30(28-9-7-6-8-27(28)29)47-32-16-17-37-35(42-32)39-25-18-23(2)34-24(19-25)21-38-43-34/h6-21H,1-5H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM345142
PNG
(1-(4-((2-(pyridin-2-ylamino)pyrimidin-4-yl)oxy)nap...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccn3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O2Si/c1-22-12-14-23(15-13-22)41-29(21-31(40-41)44(2,3)4)38-33(42)36-26-16-17-27(25-10-6-5-9-24(25)26)43-30-18-20-35-32(39-30)37-28-11-7-8-19-34-28/h5-21H,1-4H3,(H2,36,38,42)(H,34,35,37,39)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345147
PNG
(3-Methoxy-N-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyh...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C42H48N8O9Si/c1-24-10-12-27(13-11-24)50-35(21-37(49-50)60(3,4)5)47-42(57)46-31-14-15-34(30-9-7-6-8-29(30)31)59-36-16-17-43-41(48-36)45-26-18-25(19-28(20-26)58-2)40(56)44-22-32(52)38(54)39(55)33(53)23-51/h6-21,32-33,38-39,51-55H,22-23H2,1-5H3,(H,44,56)(H,43,45,48)(H2,46,47,57)/t32-,33+,38+,39+/m0/s1
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345135
PNG
(1-[4-[2-(1H-Indazol-5-ylamino)pyrimidin-4-yl]oxy-1...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O2Si/c1-22-9-12-25(13-10-22)44-31(20-33(43-44)47(2,3)4)40-35(45)39-29-15-16-30(27-8-6-5-7-26(27)29)46-32-17-18-36-34(41-32)38-24-11-14-28-23(19-24)21-37-42-28/h5-21H,1-4H3,(H,37,42)(H,36,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345150
PNG
(3-Ethynyl-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C42H44N10O4Si/c1-6-29-23-30(39(53)43-17-18-51-19-21-55-22-20-51)25-31(24-29)46-40-44-27-45-42(49-40)56-36-16-15-35(33-9-7-8-10-34(33)36)47-41(54)48-37-26-38(57(3,4)5)50-52(37)32-13-11-28(2)12-14-32/h1,7-16,23-27H,17-22H2,2-5H3,(H,43,53)(H2,47,48,54)(H,44,45,46,49)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345140
PNG
(3-Methoxy-N-(2-morpholinoethyl)-5-((4-((4-(3-(1-(p...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N9O5Si/c1-28-10-12-31(13-11-28)51-37(27-39(49-51)57(3,4)5)47-42(53)46-35-14-15-36(34-9-7-6-8-33(34)35)56-38-16-17-44-41(48-38)45-30-24-29(25-32(26-30)54-2)40(52)43-18-19-50-20-22-55-23-21-50/h6-17,24-27H,18-23H2,1-5H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345131
PNG
(1-(1-(4-(2-Morpholinoethoxy)phenyl)-3-(trimethylsi...)
Show SMILES C[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C39H42N8O4Si/c1-52(2,3)37-27-35(47(45-37)29-13-15-30(16-14-29)50-26-23-46-21-24-49-25-22-46)43-39(48)42-33-17-18-34(32-12-8-7-11-31(32)33)51-36-19-20-40-38(44-36)41-28-9-5-4-6-10-28/h4-20,27H,21-26H2,1-3H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345137
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H35N9O2Si/c1-22-10-12-26(13-11-22)45-31(20-33(44-45)48(3,4)5)41-36(46)40-29-14-15-30(28-9-7-6-8-27(28)29)47-32-16-17-37-35(42-32)39-25-18-23(2)34-24(19-25)21-38-43-34/h6-21H,1-5H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345138
PNG
(1-(4-((2-((2-Oxoindolin-6-yl)amino)pyrimidin-4-yl)...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H34N8O3Si/c1-22-9-13-25(14-10-22)44-31(21-34(43-44)48(2,3)4)41-36(46)40-28-15-16-30(27-8-6-5-7-26(27)28)47-33-17-18-37-35(42-33)38-24-12-11-23-19-32(45)39-29(23)20-24/h5-18,20-21H,19H2,1-4H3,(H,39,45)(H,37,38,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345135
PNG
(1-[4-[2-(1H-Indazol-5-ylamino)pyrimidin-4-yl]oxy-1...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O2Si/c1-22-9-12-25(13-10-22)44-31(20-33(43-44)47(2,3)4)40-35(45)39-29-15-16-30(27-8-6-5-7-26(27)29)46-32-17-18-36-34(41-32)38-24-11-14-28-23(19-24)21-37-42-28/h5-21H,1-4H3,(H,37,42)(H,36,38,41)(H2,39,40,45)
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n/an/a 673n/an/an/an/an/an/a



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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345139
PNG
(1-(4-((2-((3-(2-(Dimethylamino)ethoxy)phenyl)amino...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C38H42N8O3Si/c1-26-14-16-28(17-15-26)46-34(25-36(44-46)50(4,5)6)42-38(47)41-32-18-19-33(31-13-8-7-12-30(31)32)49-35-20-21-39-37(43-35)40-27-10-9-11-29(24-27)48-23-22-45(2)3/h7-21,24-25H,22-23H2,1-6H3,(H,39,40,43)(H2,41,42,47)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345138
PNG
(1-(4-((2-((2-Oxoindolin-6-yl)amino)pyrimidin-4-yl)...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H34N8O3Si/c1-22-9-13-25(14-10-22)44-31(21-34(43-44)48(2,3)4)41-36(46)40-28-15-16-30(27-8-6-5-7-26(27)28)47-33-17-18-37-35(42-33)38-24-12-11-23-19-32(45)39-29(23)20-24/h5-18,20-21H,19H2,1-4H3,(H,39,45)(H,37,38,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345120
PNG
(1-(4-((2-(Phenylamino)pyrimidin-4-yl)oxy)naphthale...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C34H33N7O2Si/c1-23-14-16-25(17-15-23)41-30(22-32(40-41)44(2,3)4)38-34(42)37-28-18-19-29(27-13-9-8-12-26(27)28)43-31-20-21-35-33(39-31)36-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,35,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345146
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H42Cl2N8O5Si/c1-24-6-8-26(9-7-24)47-31(23-33(45-47)53(3,4)5)43-37(48)42-29-10-11-30(35(39)34(29)38)52-32-12-13-40-36(44-32)41-25-20-27(49-2)22-28(21-25)51-19-16-46-14-17-50-18-15-46/h6-13,20-23H,14-19H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345144
PNG
(1-(3-(Ethyldimethylsilyl)-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES CC[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H35N7O2Si/c1-5-45(3,4)33-23-31(42(41-33)26-17-15-24(2)16-18-26)39-35(43)38-29-19-20-30(28-14-10-9-13-27(28)29)44-32-21-22-36-34(40-32)37-25-11-7-6-8-12-25/h6-23H,5H2,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345130
PNG
(1-(1-(6-Methoxypyridin-3-yl)-3-(trimethylsilyl)-1H...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O3Si/c1-43-29-17-14-23(21-35-29)41-28(20-31(40-41)45(2,3)4)38-33(42)37-26-15-16-27(25-13-9-8-12-24(25)26)44-30-18-19-34-32(39-30)36-22-10-6-5-7-11-22/h5-21H,1-4H3,(H,34,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345142
PNG
(1-(4-((2-(pyridin-2-ylamino)pyrimidin-4-yl)oxy)nap...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccn3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O2Si/c1-22-12-14-23(15-13-22)41-29(21-31(40-41)44(2,3)4)38-33(42)36-26-16-17-27(25-10-6-5-9-24(25)26)43-30-18-20-35-32(39-30)37-28-11-7-8-19-34-28/h5-21H,1-4H3,(H2,36,38,42)(H,34,35,37,39)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345141
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H46N8O5Si/c1-28-10-12-30(13-11-28)49-37(27-39(47-49)55(3,4)5)45-41(50)44-35-14-15-36(34-9-7-6-8-33(34)35)54-38-16-17-42-40(46-38)43-29-24-31(51-2)26-32(25-29)53-23-20-48-18-21-52-22-19-48/h6-17,24-27H,18-23H2,1-5H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM345136
PNG
(1-(4-((2-((3-Aminobenzo[d]isoxazol-5-yl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4onc(N)c4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O3Si/c1-21-9-12-23(13-10-21)44-30(20-32(42-44)48(2,3)4)40-35(45)39-27-14-16-28(25-8-6-5-7-24(25)27)46-31-17-18-37-34(41-31)38-22-11-15-29-26(19-22)33(36)43-47-29/h5-20H,1-4H3,(H2,36,43)(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM345131
PNG
(1-(1-(4-(2-Morpholinoethoxy)phenyl)-3-(trimethylsi...)
Show SMILES C[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C39H42N8O4Si/c1-52(2,3)37-27-35(47(45-37)29-13-15-30(16-14-29)50-26-23-46-21-24-49-25-22-46)43-39(48)42-33-17-18-34(32-12-8-7-11-31(32)33)51-36-19-20-40-38(44-36)41-28-9-5-4-6-10-28/h4-20,27H,21-26H2,1-3H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345134
PNG
(1-(4-((2-((3-(2-Morpholinoethoxy)phenyl)amino)pyri...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C40H44N8O4Si/c1-28-12-14-30(15-13-28)48-36(27-38(46-48)53(2,3)4)44-40(49)43-34-16-17-35(33-11-6-5-10-32(33)34)52-37-18-19-41-39(45-37)42-29-8-7-9-31(26-29)51-25-22-47-20-23-50-24-21-47/h5-19,26-27H,20-25H2,1-4H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345137
PNG
(1-(4-((2-((7-Methyl-1H-indazol-5-yl)amino)pyrimidi...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H35N9O2Si/c1-22-10-12-26(13-11-22)45-31(20-33(44-45)48(3,4)5)41-36(46)40-29-14-15-30(28-9-7-6-8-27(28)29)47-32-16-17-37-35(42-32)39-25-18-23(2)34-24(19-25)21-38-43-34/h6-21H,1-5H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345120
PNG
(1-(4-((2-(Phenylamino)pyrimidin-4-yl)oxy)naphthale...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C34H33N7O2Si/c1-23-14-16-25(17-15-23)41-30(22-32(40-41)44(2,3)4)38-34(42)37-28-18-19-29(27-13-9-8-12-26(27)28)43-31-20-21-35-33(39-31)36-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,35,36,39)(H2,37,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345146
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)[Si](C)(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H42Cl2N8O5Si/c1-24-6-8-26(9-7-24)47-31(23-33(45-47)53(3,4)5)43-37(48)42-29-10-11-30(35(39)34(29)38)52-32-12-13-40-36(44-32)41-25-20-27(49-2)22-28(21-25)51-19-16-46-14-17-50-18-15-46/h6-13,20-23H,14-19H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345132
PNG
(1-(4-((2-(phenylamino)pyrimidin-4-yl)oxy)naphthale...)
Show SMILES CC[Si](CC)(CC)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C37H39N7O2Si/c1-5-47(6-2,7-3)35-25-33(44(43-35)28-19-17-26(4)18-20-28)41-37(45)40-31-21-22-32(30-16-12-11-15-29(30)31)46-34-23-24-38-36(42-34)39-27-13-9-8-10-14-27/h8-25H,5-7H2,1-4H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345144
PNG
(1-(3-(Ethyldimethylsilyl)-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES CC[Si](C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H35N7O2Si/c1-5-45(3,4)33-23-31(42(41-33)26-17-15-24(2)16-18-26)39-35(43)38-29-19-20-30(28-14-10-9-13-27(28)29)44-32-21-22-36-34(40-32)37-25-11-7-6-8-12-25/h6-23H,5H2,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345145
PNG
(1-(2,3-Dichloro-4-((2-((7-methyl-1H-indazol-5-yl)a...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c(Cl)c1Cl)[Si](C)(C)C
Show InChI InChI=1S/C32H31Cl2N9O2Si/c1-18-6-8-22(9-7-18)43-25(16-27(42-43)46(3,4)5)39-32(44)38-23-10-11-24(29(34)28(23)33)45-26-12-13-35-31(40-26)37-21-14-19(2)30-20(15-21)17-36-41-30/h6-17H,1-5H3,(H,36,41)(H,35,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345135
PNG
(1-[4-[2-(1H-Indazol-5-ylamino)pyrimidin-4-yl]oxy-1...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C35H33N9O2Si/c1-22-9-12-25(13-10-22)44-31(20-33(43-44)47(2,3)4)40-35(45)39-29-15-16-30(27-8-6-5-7-26(27)29)46-32-17-18-36-34(41-32)38-24-11-14-28-23(19-24)21-37-42-28/h5-21H,1-4H3,(H,37,42)(H,36,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345138
PNG
(1-(4-((2-((2-Oxoindolin-6-yl)amino)pyrimidin-4-yl)...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C36H34N8O3Si/c1-22-9-13-25(14-10-22)44-31(21-34(43-44)48(2,3)4)41-36(46)40-28-15-16-30(27-8-6-5-7-26(27)28)47-33-17-18-37-35(42-33)38-24-12-11-23-19-32(45)39-29(23)20-24/h5-18,20-21H,19H2,1-4H3,(H,39,45)(H,37,38,42)(H2,40,41,46)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM345142
PNG
(1-(4-((2-(pyridin-2-ylamino)pyrimidin-4-yl)oxy)nap...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccn3)n2)c2ccccc12)[Si](C)(C)C
Show InChI InChI=1S/C33H32N8O2Si/c1-22-12-14-23(15-13-22)41-29(21-31(40-41)44(2,3)4)38-33(42)36-26-16-17-27(25-10-6-5-9-24(25)26)43-30-18-20-35-32(39-30)37-28-11-7-8-19-34-28/h5-21H,1-4H3,(H2,36,38,42)(H,34,35,37,39)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9783556 (2017)


BindingDB Entry DOI: 10.7270/Q2833V5V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%