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Patent code US9751837

Compile Data Set for Download or QSAR
Found 187 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM337707
PNG
(US10392346, Example 17(am) | US9751837, Example 17...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298426
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-6)37(26-29)49-60(7,54)55)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)56-5)42(52)50(4)19-10-20-51-21-23-58-24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298442
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN(C)C
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)25-20-31(38(55-8)32(21-25)47-57(9,51)52)46-40(50)45-30-14-15-33(29-13-11-10-12-28(29)30)56-27-16-17-42-36(24-27)44-26-22-34(53-6)37(35(23-26)54-7)39(49)43-18-19-48(4)5/h10-17,20-24,47H,18-19H2,1-9H3,(H,42,44)(H,43,49)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM337710
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCCOCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-22-34(39(57-5)35(23-27)48-63(6,54)55)47-41(50)46-33-14-15-36(31-11-8-7-10-30(31)33)61-29-16-17-43-38(25-29)45-28-12-13-32(37(24-28)56-4)40(49)44-18-21-58-19-9-20-59-26-60-62(51,52)53/h7-8,10-17,22-25,48H,9,18-21,26H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM337710
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCCOCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-22-34(39(57-5)35(23-27)48-63(6,54)55)47-41(50)46-33-14-15-36(31-11-8-7-10-30(31)33)61-29-16-17-43-38(25-29)45-28-12-13-32(37(24-28)56-4)40(49)44-18-21-58-19-9-20-59-26-60-62(51,52)53/h7-8,10-17,22-25,48H,9,18-21,26H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298441
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-61(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)60-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-18-58-20-21-59-19-17-50/h8-15,22-26,49-50H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298446
PNG
((4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methyls...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O
Show InChI InChI=1S/C36H40N5O8PS/c1-36(2,3)22-18-28(34(48-5)29(19-22)41-51(7,45)46)40-35(42)39-27-13-14-30(26-11-9-8-10-25(26)27)49-24-16-17-37-33(21-24)38-23-12-15-32(50(6,43)44)31(20-23)47-4/h8-21,41H,1-7H3,(H,37,38)(H,43,44)(H2,39,40,42)
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n/an/a 11n/an/an/an/an/an/a



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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298430
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298431
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC1CCN(C)CC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-22-35(40(56-6)36(23-28)49-58(7,53)54)48-42(52)47-34-14-15-37(32-11-9-8-10-31(32)34)57-30-16-19-44-39(25-30)46-29-12-13-33(38(24-29)55-5)41(51)45-26-27-17-20-50(4)21-18-27/h8-16,19,22-25,27,49H,17-18,20-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298444
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(2-hydroxyacetamido...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)CO)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O8S/c1-43(2,3)27-22-34(47-39(52)26-51)40(57-5)35(23-27)49-42(54)48-33-12-13-36(31-9-7-6-8-30(31)33)58-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)56-4)41(53)45-16-17-50-18-20-59(55)21-19-50/h6-15,22-25,51H,16-21,26H2,1-5H3,(H,44,46)(H,45,53)(H,47,52)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298429
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-18-20-50-19-9-22-57-23-21-50/h7-8,10-17,24-27,49H,9,18-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298438
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-59(7,54)55)48-42(53)47-34-14-15-38(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(37(26-29)50(4)5)41(52)45-18-19-51-20-22-57-23-21-51/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,52)(H2,47,48,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298438
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-59(7,54)55)48-42(53)47-34-14-15-38(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(37(26-29)50(4)5)41(52)45-18-19-51-20-22-57-23-21-51/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,52)(H2,47,48,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298395
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-35(40(57-6)36(25-28)49-59(7,54)55)48-42(53)47-34-14-15-37(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)56-5)41(52)45-18-19-51-22-20-50(4)21-23-51/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,52)(H2,47,48,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298427
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H51N7O8S2/c1-43(2,3)28-24-35(40(57-5)36(25-28)49-60(6,54)55)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)56-4)41(51)45-17-9-19-50-20-22-59(53)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298442
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN(C)C
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)25-20-31(38(55-8)32(21-25)47-57(9,51)52)46-40(50)45-30-14-15-33(29-13-11-10-12-28(29)30)56-27-16-17-42-36(24-27)44-26-22-34(53-6)37(35(23-26)54-7)39(49)43-18-19-48(4)5/h10-17,20-24,47H,18-19H2,1-9H3,(H,42,44)(H,43,49)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298446
PNG
((4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methyls...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O
Show InChI InChI=1S/C36H40N5O8PS/c1-36(2,3)22-18-28(34(48-5)29(19-22)41-51(7,45)46)40-35(42)39-27-13-14-30(26-11-9-8-10-25(26)27)49-24-16-17-37-33(21-24)38-23-12-15-32(50(6,43)44)31(20-23)47-4/h8-21,41H,1-7H3,(H,37,38)(H,43,44)(H2,39,40,42)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298441
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-61(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)60-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-18-58-20-21-59-19-17-50/h8-15,22-26,49-50H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298407
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)27-23-35(40(57-5)36(24-27)49-59(6,54)55)48-42(53)47-34-13-14-37(32-10-8-7-9-31(32)34)58-30-15-18-44-39(26-30)46-28-11-12-33(38(25-28)56-4)41(52)45-19-22-50-20-16-29(51)17-21-50/h7-15,18,23-26,29,49,51H,16-17,19-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298428
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C43H51N7O9S2/c1-43(2,3)28-24-35(40(58-5)36(25-28)49-60(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)59-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)57-4)41(51)45-17-9-19-50-20-22-61(55,56)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298435
PNG
(US10125100, Example 17(cp) | US10392346, Example 1...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)COP(O)(O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H50N7O11PS/c1-43(2,3)27-22-34(47-39(51)26-60-62(54,55)56)40(59-5)35(23-27)49-42(53)48-33-12-13-36(31-9-7-6-8-30(31)33)61-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)58-4)41(52)45-16-17-50-18-20-63(57)21-19-50/h6-15,22-25H,16-21,26H2,1-5H3,(H,44,46)(H,45,52)(H,47,51)(H2,48,49,53)(H2,54,55,56)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298446
PNG
((4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methyls...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O
Show InChI InChI=1S/C36H40N5O8PS/c1-36(2,3)22-18-28(34(48-5)29(19-22)41-51(7,45)46)40-35(42)39-27-13-14-30(26-11-9-8-10-25(26)27)49-24-16-17-37-33(21-24)38-23-12-15-32(50(6,43)44)31(20-23)47-4/h8-21,41H,1-7H3,(H,37,38)(H,43,44)(H2,39,40,42)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298450
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(N-(2-hydroxyethyl)...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(N(CCO)S(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H53N7O9S2/c1-44(2,3)29-25-36(41(59-5)37(26-29)51(19-22-52)62(6,56)57)49-43(54)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(53)46-17-18-50-20-23-61(55)24-21-50/h7-16,25-28,52H,17-24H2,1-6H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298410
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-58(6,53)54)48-42(52)47-34-16-17-37(32-13-9-8-12-31(32)34)57-30-18-19-44-39(27-30)46-29-14-15-33(38(26-29)55-4)41(51)45-20-23-50-21-10-7-11-22-50/h8-9,12-19,24-27,49H,7,10-11,20-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298421
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-18-10-20-52-23-21-51(4)22-24-52/h8-9,11-17,19,25-28,50H,10,18,20-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298396
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-17-9-19-50-20-22-57-23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298382
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H49N7O8S2/c1-42(2,3)27-23-34(39(56-5)35(24-27)48-59(6,53)54)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)55-4)40(50)44-17-18-49-19-21-58(52)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298410
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-58(6,53)54)48-42(52)47-34-16-17-37(32-13-9-8-12-31(32)34)57-30-18-19-44-39(27-30)46-29-14-15-33(38(26-29)55-4)41(51)45-20-23-50-21-10-7-11-22-50/h8-9,12-19,24-27,49H,7,10-11,20-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM337710
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCCOCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-22-34(39(57-5)35(23-27)48-63(6,54)55)47-41(50)46-33-14-15-36(31-11-8-7-10-30(31)33)61-29-16-17-43-38(25-29)45-28-12-13-32(37(24-28)56-4)40(49)44-18-21-58-19-9-20-59-26-60-62(51,52)53/h7-8,10-17,22-25,48H,9,18-21,26H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298394
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C42H50N6O10S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-19-56-21-22-57-20-18-49/h7-16,23-26,48-49H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298390
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O11S2/c1-42(2,3)28-24-34(40(55-6)35(25-28)47-59(7,49)50)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-5)60(51,52)23-22-57-21-20-56-19-18-53-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298421
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-18-10-20-52-23-21-51(4)22-24-52/h8-9,11-17,19,25-28,50H,10,18,20-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298407
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)27-23-35(40(57-5)36(24-27)49-59(6,54)55)48-42(53)47-34-13-14-37(32-10-8-7-9-31(32)34)58-30-15-18-44-39(26-30)46-28-11-12-33(38(25-28)56-4)41(52)45-19-22-50-20-16-29(51)17-21-50/h7-15,18,23-26,29,49,51H,16-17,19-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298434
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC(CO)(CO)CO
Show InChI InChI=1S/C40H46N6O10S/c1-39(2,3)24-17-31(36(55-5)32(18-24)46-57(6,52)53)44-38(51)43-30-13-14-33(28-10-8-7-9-27(28)30)56-26-15-16-41-35(20-26)42-25-11-12-29(34(19-25)54-4)37(50)45-40(21-47,22-48)23-49/h7-20,46-49H,21-23H2,1-6H3,(H,41,42)(H,45,50)(H2,43,44,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298450
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(N-(2-hydroxyethyl)...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(N(CCO)S(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H53N7O9S2/c1-44(2,3)29-25-36(41(59-5)37(26-29)51(19-22-52)62(6,56)57)49-43(54)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(53)46-17-18-50-20-23-61(55)24-21-50/h7-16,25-28,52H,17-24H2,1-6H3,(H,45,47)(H,46,53)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298444
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(2-hydroxyacetamido...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)CO)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O8S/c1-43(2,3)27-22-34(47-39(52)26-51)40(57-5)35(23-27)49-42(54)48-33-12-13-36(31-9-7-6-8-30(31)33)58-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)56-4)41(53)45-16-17-50-18-20-59(55)21-19-50/h6-15,22-25,51H,16-21,26H2,1-5H3,(H,44,46)(H,45,53)(H,47,52)(H2,48,49,54)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298380
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H52N6O10S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-60(7,52)53)48-42(51)47-34-14-15-37(32-11-9-8-10-31(32)34)59-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(50)45-18-19-57-22-23-58-21-20-54-4/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298430
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298394
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C42H50N6O10S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-19-56-21-22-57-20-18-49/h7-16,23-26,48-49H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298386
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COCCOCCOCCS(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O10S2/c1-42(2,3)28-24-34(40(54-6)35(25-28)47-59(7,50)51)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)53-5)58(49)23-22-56-21-20-55-19-18-52-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298447
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((3-hydroxy-2,2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CC(CO)(CO)CO
Show InChI InChI=1S/C40H47N5O11S2/c1-39(2,3)25-17-31(37(55-5)32(18-25)45-57(6,50)51)44-38(49)43-30-12-13-33(29-10-8-7-9-28(29)30)56-27-15-16-41-36(20-27)42-26-11-14-35(34(19-26)54-4)58(52,53)24-40(21-46,22-47)23-48/h7-20,45-48H,21-24H2,1-6H3,(H,41,42)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298379
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)26-22-32(39(43)50)38(54-5)34(23-26)48-41(52)47-33-12-13-35(30-9-7-6-8-29(30)33)56-28-14-15-44-37(25-28)46-27-10-11-31(36(24-27)53-4)40(51)45-16-17-49-18-20-55-21-19-49/h6-15,22-25H,16-21H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298440
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(CC1)C1CC1
Show InChI InChI=1S/C45H54N8O7S/c1-45(2,3)29-25-37(42(59-5)38(26-29)51-61(6,56)57)50-44(55)49-36-15-16-39(34-10-8-7-9-33(34)36)60-32-17-18-46-41(28-32)48-30-11-14-35(40(27-30)58-4)43(54)47-19-20-52-21-23-53(24-22-52)31-12-13-31/h7-11,14-18,25-28,31,51H,12-13,19-24H2,1-6H3,(H,46,48)(H,47,54)(H2,49,50,55)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298447
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((3-hydroxy-2,2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CC(CO)(CO)CO
Show InChI InChI=1S/C40H47N5O11S2/c1-39(2,3)25-17-31(37(55-5)32(18-25)45-57(6,50)51)44-38(49)43-30-12-13-33(29-10-8-7-9-28(29)30)56-27-15-16-41-36(20-27)42-26-11-14-35(34(19-26)54-4)58(52,53)24-40(21-46,22-47)23-48/h7-20,45-48H,21-24H2,1-6H3,(H,41,42)(H2,43,44,49)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298416
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N[C@@H](C)CN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-27(26-50-18-20-57-21-19-50)45-41(51)33-13-12-29(24-38(33)55-5)46-39-25-30(16-17-44-39)58-37-15-14-34(31-10-8-9-11-32(31)37)47-42(52)48-35-22-28(43(2,3)4)23-36(40(35)56-6)49-59(7,53)54/h8-17,22-25,27,49H,18-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)/t27-/m0/s1
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298434
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC(CO)(CO)CO
Show InChI InChI=1S/C40H46N6O10S/c1-39(2,3)24-17-31(36(55-5)32(18-24)46-57(6,52)53)44-38(51)43-30-13-14-33(28-10-8-7-9-27(28)30)56-26-15-16-41-35(20-26)42-25-11-12-29(34(19-25)54-4)37(50)45-40(21-47,22-48)23-49/h7-20,46-49H,21-23H2,1-6H3,(H,41,42)(H,45,50)(H2,43,44,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298396
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-17-9-19-50-20-22-57-23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298450
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(N-(2-hydroxyethyl)...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(N(CCO)S(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H53N7O9S2/c1-44(2,3)29-25-36(41(59-5)37(26-29)51(19-22-52)62(6,56)57)49-43(54)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(53)46-17-18-50-20-23-61(55)24-21-50/h7-16,25-28,52H,17-24H2,1-6H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298428
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C43H51N7O9S2/c1-43(2,3)28-24-35(40(58-5)36(25-28)49-60(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)59-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)57-4)41(51)45-17-9-19-50-20-22-61(55,56)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298382
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H49N7O8S2/c1-42(2,3)27-23-34(39(56-5)35(24-27)48-59(6,53)54)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)55-4)40(50)44-17-18-49-19-21-58(52)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298421
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-18-10-20-52-23-21-51(4)22-24-52/h8-9,11-17,19,25-28,50H,10,18,20-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM337707
PNG
(US10392346, Example 17(am) | US9751837, Example 17...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298405
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1(C)C
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-19-20-51-21-22-58-27-44(51,4)5/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298386
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COCCOCCOCCS(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O10S2/c1-42(2,3)28-24-34(40(54-6)35(25-28)47-59(7,50)51)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)53-5)58(49)23-22-56-21-20-55-19-18-52-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298437
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C42H50N6O9S2/c1-42(2,3)28-24-34(40(55-5)35(25-28)47-58(6,50)51)46-41(49)45-33-13-14-36(32-11-8-7-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-4)59(52,53)23-9-18-48-19-21-56-22-20-48/h7-8,10-17,24-27,47H,9,18-23H2,1-6H3,(H,43,44)(H2,45,46,49)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298434
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC(CO)(CO)CO
Show InChI InChI=1S/C40H46N6O10S/c1-39(2,3)24-17-31(36(55-5)32(18-24)46-57(6,52)53)44-38(51)43-30-13-14-33(28-10-8-7-9-27(28)30)56-26-15-16-41-35(20-26)42-25-11-12-29(34(19-25)54-4)37(50)45-40(21-47,22-48)23-49/h7-20,46-49H,21-23H2,1-6H3,(H,41,42)(H,45,50)(H2,43,44,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298431
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC1CCN(C)CC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-22-35(40(56-6)36(23-28)49-58(7,53)54)48-42(52)47-34-14-15-37(32-11-9-8-10-31(32)34)57-30-16-19-44-39(25-30)46-29-12-13-33(38(24-29)55-5)41(51)45-26-27-17-20-50(4)21-18-27/h8-16,19,22-25,27,49H,17-18,20-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298429
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-18-20-50-19-9-22-57-23-21-50/h7-8,10-17,24-27,49H,9,18-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298396
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-17-9-19-50-20-22-57-23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298427
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H51N7O8S2/c1-43(2,3)28-24-35(40(57-5)36(25-28)49-60(6,54)55)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)56-4)41(51)45-17-9-19-50-20-22-59(53)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298382
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H49N7O8S2/c1-42(2,3)27-23-34(39(56-5)35(24-27)48-59(6,53)54)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)55-4)40(50)44-17-18-49-19-21-58(52)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298394
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C42H50N6O10S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-19-56-21-22-57-20-18-49/h7-16,23-26,48-49H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298447
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((3-hydroxy-2,2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CC(CO)(CO)CO
Show InChI InChI=1S/C40H47N5O11S2/c1-39(2,3)25-17-31(37(55-5)32(18-25)45-57(6,50)51)44-38(49)43-30-12-13-33(29-10-8-7-9-28(29)30)56-27-15-16-41-36(20-27)42-26-11-14-35(34(19-26)54-4)58(52,53)24-40(21-46,22-47)23-48/h7-20,45-48H,21-24H2,1-6H3,(H,41,42)(H2,43,44,49)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298406
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCSCC1
Show InChI InChI=1S/C42H49N7O7S2/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)56-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-57-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298416
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N[C@@H](C)CN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-27(26-50-18-20-57-21-19-50)45-41(51)33-13-12-29(24-38(33)55-5)46-39-25-30(16-17-44-39)58-37-15-14-34(31-10-8-9-11-32(31)37)47-42(52)48-35-22-28(43(2,3)4)23-36(40(35)56-6)49-59(7,53)54/h8-17,22-25,27,49H,18-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)/t27-/m0/s1
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298380
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H52N6O10S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-60(7,52)53)48-42(51)47-34-14-15-37(32-11-9-8-10-31(32)34)59-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(50)45-18-19-57-22-23-58-21-20-54-4/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298379
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)26-22-32(39(43)50)38(54-5)34(23-26)48-41(52)47-33-12-13-35(30-9-7-6-8-29(30)33)56-28-14-15-44-37(25-28)46-27-10-11-31(36(24-27)53-4)40(51)45-16-17-49-18-20-55-21-19-49/h6-15,22-25H,16-21H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM337707
PNG
(US10392346, Example 17(am) | US9751837, Example 17...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298414
PNG
(US10125100, Example 17(t) | US10392346, Example 17...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cc4)C(O)=O)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C35H35N5O7S/c1-35(2,3)22-18-28(32(46-4)29(19-22)40-48(5,44)45)39-34(43)38-27-14-15-30(26-9-7-6-8-25(26)27)47-24-16-17-36-31(20-24)37-23-12-10-21(11-13-23)33(41)42/h6-20,40H,1-5H3,(H,36,37)(H,41,42)(H2,38,39,43)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298437
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C42H50N6O9S2/c1-42(2,3)28-24-34(40(55-5)35(25-28)47-58(6,50)51)46-41(49)45-33-13-14-36(32-11-8-7-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-4)59(52,53)23-9-18-48-19-21-56-22-20-48/h7-8,10-17,24-27,47H,9,18-23H2,1-6H3,(H,43,44)(H2,45,46,49)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298391
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298405
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1(C)C
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-19-20-51-21-22-58-27-44(51,4)5/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298443
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((2-(2-(2-hydrox...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CCOCCOCCO
Show InChI InChI=1S/C41H49N5O11S2/c1-41(2,3)27-23-33(39(54-5)34(24-27)46-58(6,49)50)45-40(48)44-32-12-13-35(31-10-8-7-9-30(31)32)57-29-15-16-42-38(26-29)43-28-11-14-37(36(25-28)53-4)59(51,52)22-21-56-20-19-55-18-17-47/h7-16,23-26,46-47H,17-22H2,1-6H3,(H,42,43)(H2,44,45,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298410
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-58(6,53)54)48-42(52)47-34-16-17-37(32-13-9-8-12-31(32)34)57-30-18-19-44-39(27-30)46-29-14-15-33(38(26-29)55-4)41(51)45-20-23-50-21-10-7-11-22-50/h8-9,12-19,24-27,49H,7,10-11,20-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298380
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H52N6O10S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-60(7,52)53)48-42(51)47-34-14-15-37(32-11-9-8-10-31(32)34)59-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(50)45-18-19-57-22-23-58-21-20-54-4/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298441
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-61(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)60-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-18-58-20-21-59-19-17-50/h8-15,22-26,49-50H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298407
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)27-23-35(40(57-5)36(24-27)49-59(6,54)55)48-42(53)47-34-13-14-37(32-10-8-7-9-31(32)34)58-30-15-18-44-39(26-30)46-28-11-12-33(38(25-28)56-4)41(52)45-19-22-50-20-16-29(51)17-21-50/h7-15,18,23-26,29,49,51H,16-17,19-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298443
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((2-(2-(2-hydrox...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CCOCCOCCO
Show InChI InChI=1S/C41H49N5O11S2/c1-41(2,3)27-23-33(39(54-5)34(24-27)46-58(6,49)50)45-40(48)44-32-12-13-35(31-10-8-7-9-30(31)32)57-29-15-16-42-38(26-29)43-28-11-14-37(36(25-28)53-4)59(51,52)22-21-56-20-19-55-18-17-47/h7-16,23-26,46-47H,17-22H2,1-6H3,(H,42,43)(H2,44,45,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298384
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H45N7O7S/c1-41(2,3)28-23-34(39(52-4)35(24-28)47-56(5,50)51)46-40(49)45-33-11-13-37(32-9-7-6-8-31(32)33)55-30-14-15-43-38(25-30)44-29-10-12-36(27(22-29)26-42)54-21-18-48-16-19-53-20-17-48/h6-15,22-25,47H,16-21H2,1-5H3,(H,43,44)(H2,45,46,49)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298390
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O11S2/c1-42(2,3)28-24-34(40(55-6)35(25-28)47-59(7,49)50)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-5)60(51,52)23-22-57-21-20-56-19-18-53-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298383
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-(2-(2...)
Show SMILES COCCOCCOCCOc1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1C#N
Show InChI InChI=1S/C42H48N6O9S/c1-42(2,3)29-24-35(40(53-5)36(25-29)48-58(6,50)51)47-41(49)46-34-12-14-38(33-10-8-7-9-32(33)34)57-31-15-16-44-39(26-31)45-30-11-13-37(28(23-30)27-43)56-22-21-55-20-19-54-18-17-52-4/h7-16,23-26,48H,17-22H2,1-6H3,(H,44,45)(H2,46,47,49)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM298406
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCSCC1
Show InChI InChI=1S/C42H49N7O7S2/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)56-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-57-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298448
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(O)=O
Show InChI InChI=1S/C37H39N5O9S/c1-37(2,3)21-16-27(34(50-6)28(17-21)42-52(7,46)47)41-36(45)40-26-12-13-29(25-11-9-8-10-24(25)26)51-23-14-15-38-32(20-23)39-22-18-30(48-4)33(35(43)44)31(19-22)49-5/h8-20,42H,1-7H3,(H,38,39)(H,43,44)(H2,40,41,45)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298416
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N[C@@H](C)CN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-27(26-50-18-20-57-21-19-50)45-41(51)33-13-12-29(24-38(33)55-5)46-39-25-30(16-17-44-39)58-37-15-14-34(31-10-8-9-11-32(31)37)47-42(52)48-35-22-28(43(2,3)4)23-36(40(35)56-6)49-59(7,53)54/h8-17,22-25,27,49H,18-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)/t27-/m0/s1
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298442
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN(C)C
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)25-20-31(38(55-8)32(21-25)47-57(9,51)52)46-40(50)45-30-14-15-33(29-13-11-10-12-28(29)30)56-27-16-17-42-36(24-27)44-26-22-34(53-6)37(35(23-26)54-7)39(49)43-18-19-48(4)5/h10-17,20-24,47H,18-19H2,1-9H3,(H,42,44)(H,43,49)(H2,45,46,50)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298379
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)26-22-32(39(43)50)38(54-5)34(23-26)48-41(52)47-33-12-13-35(30-9-7-6-8-29(30)33)56-28-14-15-44-37(25-28)46-27-10-11-31(36(24-27)53-4)40(51)45-16-17-49-18-20-55-21-19-49/h6-15,22-25H,16-21H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM298384
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H45N7O7S/c1-41(2,3)28-23-34(39(52-4)35(24-28)47-56(5,50)51)46-40(49)45-33-11-13-37(32-9-7-6-8-31(32)33)55-30-14-15-43-38(25-30)44-29-10-12-36(27(22-29)26-42)54-21-18-48-16-19-53-20-17-48/h6-15,22-25,47H,16-21H2,1-5H3,(H,43,44)(H2,45,46,49)
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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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298386
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COCCOCCOCCS(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O10S2/c1-42(2,3)28-24-34(40(54-6)35(25-28)47-59(7,50)51)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)53-5)58(49)23-22-56-21-20-55-19-18-52-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298444
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(2-hydroxyacetamido...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)CO)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O8S/c1-43(2,3)27-22-34(47-39(52)26-51)40(57-5)35(23-27)49-42(54)48-33-12-13-36(31-9-7-6-8-30(31)33)58-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)56-4)41(53)45-16-17-50-18-20-59(55)21-19-50/h6-15,22-25,51H,16-21,26H2,1-5H3,(H,44,46)(H,45,53)(H,47,52)(H2,48,49,54)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298405
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1(C)C
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-19-20-51-21-22-58-27-44(51,4)5/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298406
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCSCC1
Show InChI InChI=1S/C42H49N7O7S2/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)56-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-57-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298435
PNG
(US10125100, Example 17(cp) | US10392346, Example 1...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)COP(O)(O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H50N7O11PS/c1-43(2,3)27-22-34(47-39(51)26-60-62(54,55)56)40(59-5)35(23-27)49-42(53)48-33-12-13-36(31-9-7-6-8-30(31)33)61-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)58-4)41(52)45-16-17-50-18-20-63(57)21-19-50/h6-15,22-25H,16-21,26H2,1-5H3,(H,44,46)(H,45,52)(H,47,51)(H2,48,49,53)(H2,54,55,56)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298413
PNG
(US10125100, Example 17(s) | US10392346, Example 17...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C41H46N6O9S/c1-41(2,3)25-21-32(38(55-5)33(22-25)47-57(6,52)53)46-40(51)45-31-16-17-34(29-12-8-7-11-28(29)31)56-27-18-20-42-36(24-27)44-26-14-15-30(35(23-26)54-4)39(50)43-19-10-9-13-37(48)49/h7-8,11-12,14-18,20-24,47H,9-10,13,19H2,1-6H3,(H,42,44)(H,43,50)(H,48,49)(H2,45,46,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298443
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((4-((2-(2-(2-hydrox...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)CCOCCOCCO
Show InChI InChI=1S/C41H49N5O11S2/c1-41(2,3)27-23-33(39(54-5)34(24-27)46-58(6,49)50)45-40(48)44-32-12-13-35(31-10-8-7-9-30(31)32)57-29-15-16-42-38(26-29)43-28-11-14-37(36(25-28)53-4)59(51,52)22-21-56-20-19-55-18-17-47/h7-16,23-26,46-47H,17-22H2,1-6H3,(H,42,43)(H2,44,45,48)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM337692
PNG
(US10392346, Example 17(x) | US9751837, Example 17(...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)=O
Show InChI InChI=1S/C43H50N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,49H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H,50,51)(H2,47,48,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298403
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C41H48N8O8S/c1-41(2,3)26-23-32(37(55-5)33(24-26)48-58(6,52)53)46-40(51)45-31-13-14-34(29-10-8-7-9-28(29)31)57-36-15-16-43-39(47-36)44-27-11-12-30(35(25-27)54-4)38(50)42-17-18-49-19-21-56-22-20-49/h7-16,23-25,48H,17-22H2,1-6H3,(H,42,50)(H,43,44,47)(H2,45,46,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298422
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-6)36(25-28)48-59(7,53)54)47-42(52)46-34-14-15-37(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)45-29-12-13-33(38(26-29)55-5)41(51)49(4)18-19-50-20-22-57-23-21-50/h8-17,24-27,48H,18-23H2,1-7H3,(H,44,45)(H2,46,47,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298417
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCNCC1
Show InChI InChI=1S/C42H50N8O7S/c1-42(2,3)27-23-34(39(56-5)35(24-27)49-58(6,53)54)48-41(52)47-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-44-38(26-29)46-28-11-12-32(37(25-28)55-4)40(51)45-19-22-50-20-17-43-18-21-50/h7-16,23-26,43,49H,17-22H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298426
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-6)37(26-29)49-60(7,54)55)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)56-5)42(52)50(4)19-10-20-51-21-23-58-24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298391
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298390
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O11S2/c1-42(2,3)28-24-34(40(55-6)35(25-28)47-59(7,49)50)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-5)60(51,52)23-22-57-21-20-56-19-18-53-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,50)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298400
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-19-22-52-21-10-20-51(4)23-24-52/h8-9,11-18,25-28,50H,10,19-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298382
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H49N7O8S2/c1-42(2,3)27-23-34(39(56-5)35(24-27)48-59(6,53)54)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)55-4)40(50)44-17-18-49-19-21-58(52)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298384
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H45N7O7S/c1-41(2,3)28-23-34(39(52-4)35(24-28)47-56(5,50)51)46-40(49)45-33-11-13-37(32-9-7-6-8-31(32)33)55-30-14-15-43-38(25-30)44-29-10-12-36(27(22-29)26-42)54-21-18-48-16-19-53-20-17-48/h6-15,22-25,47H,16-21H2,1-5H3,(H,43,44)(H2,45,46,49)
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Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298386
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COCCOCCOCCS(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O10S2/c1-42(2,3)28-24-34(40(54-6)35(25-28)47-59(7,50)51)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)53-5)58(49)23-22-56-21-20-55-19-18-52-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298380
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H52N6O10S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-60(7,52)53)48-42(51)47-34-14-15-37(32-11-9-8-10-31(32)34)59-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(50)45-18-19-57-22-23-58-21-20-54-4/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298431
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC1CCN(C)CC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-22-35(40(56-6)36(23-28)49-58(7,53)54)48-42(52)47-34-14-15-37(32-11-9-8-10-31(32)34)57-30-16-19-44-39(25-30)46-29-12-13-33(38(24-29)55-5)41(51)45-26-27-17-20-50(4)21-18-27/h8-16,19,22-25,27,49H,17-18,20-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298411
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-57(6,52)53)47-41(51)46-33-15-16-36(31-12-8-7-11-30(31)33)56-29-17-18-43-38(26-29)45-28-13-14-32(37(25-28)54-4)40(50)44-19-22-49-20-9-10-21-49/h7-8,11-18,23-26,48H,9-10,19-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298379
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)26-22-32(39(43)50)38(54-5)34(23-26)48-41(52)47-33-12-13-35(30-9-7-6-8-29(30)33)56-28-14-15-44-37(25-28)46-27-10-11-31(36(24-27)53-4)40(51)45-16-17-49-18-20-55-21-19-49/h6-15,22-25H,16-21H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298390
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O11S2/c1-42(2,3)28-24-34(40(55-6)35(25-28)47-59(7,49)50)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-5)60(51,52)23-22-57-21-20-56-19-18-53-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298430
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298427
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H51N7O8S2/c1-43(2,3)28-24-35(40(57-5)36(25-28)49-60(6,54)55)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)56-4)41(51)45-17-9-19-50-20-22-59(53)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298407
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)27-23-35(40(57-5)36(24-27)49-59(6,54)55)48-42(53)47-34-13-14-37(32-10-8-7-9-31(32)34)58-30-15-18-44-39(26-30)46-28-11-12-33(38(25-28)56-4)41(52)45-19-22-50-20-16-29(51)17-21-50/h7-15,18,23-26,29,49,51H,16-17,19-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298420
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(CCO)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)29-25-36(41(59-5)37(26-29)50-61(6,56)57)49-43(55)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(54)46-17-18-51-19-21-52(22-20-51)23-24-53/h7-16,25-28,50,53H,17-24H2,1-6H3,(H,45,47)(H,46,54)(H2,48,49,55)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298421
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-18-10-20-52-23-21-51(4)22-24-52/h8-9,11-17,19,25-28,50H,10,18,20-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298423
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN(C)CCO
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)26-22-33(38(55-6)34(23-26)47-57(7,52)53)46-40(51)45-32-14-15-35(30-11-9-8-10-29(30)32)56-28-16-17-42-37(25-28)44-27-12-13-31(36(24-27)54-5)39(50)43-18-19-48(4)20-21-49/h8-17,22-25,47,49H,18-21H2,1-7H3,(H,42,44)(H,43,50)(H2,45,46,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298424
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCN(C)CCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N7O8S/c1-42(2,3)27-23-34(39(56-7)35(24-27)48-58(8,52)53)47-41(51)46-33-15-16-36(31-12-10-9-11-30(31)33)57-29-17-18-43-38(26-29)45-28-13-14-32(37(25-28)55-6)40(50)44-19-20-49(4)21-22-54-5/h9-18,23-26,48H,19-22H2,1-8H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,50)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298391
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298394
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C42H50N6O10S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-19-56-21-22-57-20-18-49/h7-16,23-26,48-49H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298383
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-(2-(2...)
Show SMILES COCCOCCOCCOc1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1C#N
Show InChI InChI=1S/C42H48N6O9S/c1-42(2,3)29-24-35(40(53-5)36(25-29)48-58(6,50)51)47-41(49)46-34-12-14-38(33-10-8-7-9-32(33)34)57-31-15-16-44-39(26-31)45-30-11-13-37(28(23-30)27-43)56-22-21-55-20-19-54-18-17-52-4/h7-16,23-26,48H,17-22H2,1-6H3,(H,44,45)(H2,46,47,49)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298395
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-35(40(57-6)36(25-28)49-59(7,54)55)48-42(53)47-34-14-15-37(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)56-5)41(52)45-18-19-51-22-20-50(4)21-23-51/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,52)(H2,47,48,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298401
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCOCCOC[C@@H](C)NC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C44H54N6O10S/c1-28(27-59-22-21-58-20-19-55-5)46-42(51)34-14-13-30(25-39(34)56-6)47-40-26-31(17-18-45-40)60-38-16-15-35(32-11-9-10-12-33(32)38)48-43(52)49-36-23-29(44(2,3)4)24-37(41(36)57-7)50-61(8,53)54/h9-18,23-26,28,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,51)(H2,48,49,52)/t28-/m1/s1
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298384
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H45N7O7S/c1-41(2,3)28-23-34(39(52-4)35(24-28)47-56(5,50)51)46-40(49)45-33-11-13-37(32-9-7-6-8-31(32)33)55-30-14-15-43-38(25-30)44-29-10-12-36(27(22-29)26-42)54-21-18-48-16-19-53-20-17-48/h6-15,22-25,47H,16-21H2,1-5H3,(H,43,44)(H2,45,46,49)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298402
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCOCCOC[C@H](C)NC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C44H54N6O10S/c1-28(27-59-22-21-58-20-19-55-5)46-42(51)34-14-13-30(25-39(34)56-6)47-40-26-31(17-18-45-40)60-38-16-15-35(32-11-9-10-12-33(32)38)48-43(52)49-36-23-29(44(2,3)4)24-37(41(36)57-7)50-61(8,53)54/h9-18,23-26,28,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,51)(H2,48,49,52)/t28-/m0/s1
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298429
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-18-20-50-19-9-22-57-23-21-50/h7-8,10-17,24-27,49H,9,18-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298396
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-17-9-19-50-20-22-57-23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298410
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-58(6,53)54)48-42(52)47-34-16-17-37(32-13-9-8-12-31(32)34)57-30-18-19-44-39(27-30)46-29-14-15-33(38(26-29)55-4)41(51)45-20-23-50-21-10-7-11-22-50/h8-9,12-19,24-27,49H,7,10-11,20-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298385
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(3-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C42H47N7O7S/c1-42(2,3)29-24-35(40(53-4)36(25-29)48-57(5,51)52)47-41(50)46-34-12-14-38(33-10-7-6-9-32(33)34)56-31-15-16-44-39(26-31)45-30-11-13-37(28(23-30)27-43)55-20-8-17-49-18-21-54-22-19-49/h6-7,9-16,23-26,48H,8,17-22H2,1-5H3,(H,44,45)(H2,46,47,50)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298399
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C42H47N7O9S/c1-42(2,3)26-21-33(39(56-5)34(22-26)48-59(6,53)54)47-41(52)46-32-13-14-35(30-10-8-7-9-29(30)32)58-28-15-16-43-37(24-28)45-27-11-12-31(36(23-27)55-4)40(51)44-25-38(50)49-17-19-57-20-18-49/h7-16,21-24,48H,17-20,25H2,1-6H3,(H,43,45)(H,44,51)(H2,46,47,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298428
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C43H51N7O9S2/c1-43(2,3)28-24-35(40(58-5)36(25-28)49-60(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)59-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)57-4)41(51)45-17-9-19-50-20-22-61(55,56)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298432
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(F)(F)CC1
Show InChI InChI=1S/C43H49F2N7O7S/c1-42(2,3)27-23-34(39(58-5)35(24-27)51-60(6,55)56)50-41(54)49-33-13-14-36(31-10-8-7-9-30(31)33)59-29-15-18-46-38(26-29)48-28-11-12-32(37(25-28)57-4)40(53)47-19-22-52-20-16-43(44,45)17-21-52/h7-15,18,23-26,51H,16-17,19-22H2,1-6H3,(H,46,48)(H,47,53)(H2,49,50,54)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298398
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOC(C)(C)C1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-19-20-51-21-22-58-44(4,5)27-51/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM298405
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1(C)C
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-19-20-51-21-22-58-27-44(51,4)5/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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