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Compile Data Set for Download or QSAR

Found 135 hits Enz. Inhib. hit(s) with all data for entry = 2071   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354311
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H49N8O6P/c1-29(2)38-27-40(51(49-38)32-10-8-9-30(23-32)28-58(4,5)53)47-43(52)46-37-13-14-39(36-12-7-6-11-35(36)37)57-41-15-16-44-42(48-41)45-31-24-33(54-3)26-34(25-31)56-22-19-50-17-20-55-21-18-50/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354293
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C38H38N9O3P/c1-23-19-25(20-24-22-40-45-35(23)24)41-36-39-18-17-34(44-36)50-31-16-15-30(28-9-7-8-10-29(28)31)42-37(48)43-33-21-32(38(2,3)4)46-47(33)26-11-13-27(14-12-26)51(5,6)49/h7-22H,1-6H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354310
PNG
(3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C44H50N9O6P/c1-29(2)38-27-40(53(51-38)33-10-8-9-30(23-33)28-60(4,5)56)49-44(55)48-37-13-14-39(36-12-7-6-11-35(36)37)59-41-15-16-46-43(50-41)47-32-24-31(25-34(26-32)57-3)42(54)45-17-18-52-19-21-58-22-20-52/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354332
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C45H54N7O8P/c1-45(2,3)40-29-41(52(51-40)33-12-10-11-31(25-33)30-61(6,7)54)49-44(53)48-38-15-16-39(37-14-9-8-13-36(37)38)60-42-17-18-46-43(50-42)47-32-26-34(56-5)28-35(27-32)59-24-23-58-22-21-57-20-19-55-4/h8-18,25-29H,19-24,30H2,1-7H3,(H,46,47,50)(H2,48,49,53)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354293
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C38H38N9O3P/c1-23-19-25(20-24-22-40-45-35(23)24)41-36-39-18-17-34(44-36)50-31-16-15-30(28-9-7-8-10-29(28)31)42-37(48)43-33-21-32(38(2,3)4)46-47(33)26-11-13-27(14-12-26)51(5,6)49/h7-22H,1-6H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354311
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H49N8O6P/c1-29(2)38-27-40(51(49-38)32-10-8-9-30(23-32)28-58(4,5)53)47-43(52)46-37-13-14-39(36-12-7-6-11-35(36)37)57-41-15-16-44-42(48-41)45-31-24-33(54-3)26-34(25-31)56-22-19-50-17-20-55-21-18-50/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354310
PNG
(3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C44H50N9O6P/c1-29(2)38-27-40(53(51-38)33-10-8-9-30(23-33)28-60(4,5)56)49-44(55)48-37-13-14-39(36-12-7-6-11-35(36)37)59-41-15-16-46-43(50-41)47-32-24-31(25-34(26-32)57-3)42(54)45-17-18-52-19-21-58-22-20-52/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354324
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H56N7O9P/c1-32(2)41-30-43(53(52-41)35-11-9-10-33(26-35)31-63(5,6)55)50-46(54)49-40-14-15-42(39-13-8-7-12-38(39)40)62-44-16-17-47-45(51-44)48-34-27-36(57-4)29-37(28-34)61-25-24-60-23-22-59-21-20-58-19-18-56-3/h7-17,26-30,32H,18-25,31H2,1-6H3,(H,47,48,51)(H2,49,50,54)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354324
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H56N7O9P/c1-32(2)41-30-43(53(52-41)35-11-9-10-33(26-35)31-63(5,6)55)50-46(54)49-40-14-15-42(39-13-8-7-12-38(39)40)62-44-16-17-47-45(51-44)48-34-27-36(57-4)29-37(28-34)61-25-24-60-23-22-59-21-20-58-19-18-56-3/h7-17,26-30,32H,18-25,31H2,1-6H3,(H,47,48,51)(H2,49,50,54)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354304
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C39H40N9O3P/c1-24-18-27(20-26-22-41-46-36(24)26)42-37-40-17-16-35(45-37)51-32-15-14-31(29-12-7-8-13-30(29)32)43-38(49)44-34-21-33(39(2,3)4)47-48(34)28-11-9-10-25(19-28)23-52(5,6)50/h7-22H,23H2,1-6H3,(H,41,46)(H,40,42,45)(H2,43,44,49)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354309
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C38H38N9O3P/c1-23(2)32-20-34(47(46-32)28-10-8-9-25(18-28)22-51(4,5)49)43-38(48)42-31-13-14-33(30-12-7-6-11-29(30)31)50-35-15-16-39-37(44-35)41-27-17-24(3)36-26(19-27)21-40-45-36/h6-21,23H,22H2,1-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354304
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C39H40N9O3P/c1-24-18-27(20-26-22-41-46-36(24)26)42-37-40-17-16-35(45-37)51-32-15-14-31(29-12-7-8-13-30(29)32)43-38(49)44-34-21-33(39(2,3)4)47-48(34)28-11-9-10-25(19-28)23-52(5,6)50/h7-22H,23H2,1-6H3,(H,41,46)(H,40,42,45)(H2,43,44,49)
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Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354331
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC(F)(F)F)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C45H49F3N9O6P/c1-44(2,3)38-27-39(57(55-38)32-10-8-9-29(23-32)28-64(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-31-24-30(25-33(26-31)63-45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354329
PNG
(1-(4-((2-((3-cyano-5-(2-morpholinoethoxy)phenyl)am...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C#N)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C43H46N9O5P/c1-29(2)38-26-40(52(50-38)33-9-7-8-30(23-33)28-58(3,4)54)48-43(53)47-37-12-13-39(36-11-6-5-10-35(36)37)57-41-14-15-45-42(49-41)46-32-22-31(27-44)24-34(25-32)56-21-18-51-16-19-55-20-17-51/h5-15,22-26,29H,16-21,28H2,1-4H3,(H,45,46,49)(H2,47,48,53)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354330
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(F)(F)F)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C45H49F3N9O5P/c1-44(2,3)38-27-39(57(55-38)33-10-8-9-29(23-33)28-63(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-32-25-30(24-31(26-32)45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354323
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C44H50N7O6P/c1-30(2)40-28-43(51(49-40)33-10-8-9-31(23-33)29-58(4,5)53)48-44(52)47-39-13-14-41(38-12-7-6-11-37(38)39)57-34-15-16-45-42(27-34)46-32-24-35(54-3)26-36(25-32)56-22-19-50-17-20-55-21-18-50/h6-16,23-28,30H,17-22,29H2,1-5H3,(H,45,46)(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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354273
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O
Show InChI InChI=1S/C36H36N7O3P/c1-36(2,3)31-23-32(43(42-31)25-15-17-26(18-16-25)47(4,5)45)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)46-33-21-22-37-34(41-33)38-24-11-7-6-8-12-24/h6-23H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354332
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C45H54N7O8P/c1-45(2,3)40-29-41(52(51-40)33-12-10-11-31(25-33)30-61(6,7)54)49-44(53)48-38-15-16-39(37-14-9-8-13-36(37)38)60-42-17-18-46-43(50-42)47-32-26-34(56-5)28-35(27-32)59-24-23-58-22-21-57-20-19-55-4/h8-18,25-29H,19-24,30H2,1-7H3,(H,46,47,50)(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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354308
PNG
(1-(3-(tert-Butyl)-1-(3-((diethylphosphoryl)methyl)...)
Show SMILES CCP(=O)(CC)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H44N9O3P/c1-7-54(52,8-2)25-27-12-11-13-30(21-27)50-36(23-35(49-50)41(4,5)6)46-40(51)45-33-16-17-34(32-15-10-9-14-31(32)33)53-37-18-19-42-39(47-37)44-29-20-26(3)38-28(22-29)24-43-48-38/h9-24H,7-8,25H2,1-6H3,(H,43,48)(H,42,44,47)(H2,45,46,51)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354329
PNG
(1-(4-((2-((3-cyano-5-(2-morpholinoethoxy)phenyl)am...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C#N)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C43H46N9O5P/c1-29(2)38-26-40(52(50-38)33-9-7-8-30(23-33)28-58(3,4)54)48-43(53)47-37-12-13-39(36-11-6-5-10-35(36)37)57-41-14-15-45-42(49-41)46-32-22-31(27-44)24-34(25-32)56-21-18-51-16-19-55-20-17-51/h5-15,22-26,29H,16-21,28H2,1-4H3,(H,45,46,49)(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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354308
PNG
(1-(3-(tert-Butyl)-1-(3-((diethylphosphoryl)methyl)...)
Show SMILES CCP(=O)(CC)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H44N9O3P/c1-7-54(52,8-2)25-27-12-11-13-30(21-27)50-36(23-35(49-50)41(4,5)6)46-40(51)45-33-16-17-34(32-15-10-9-14-31(32)33)53-37-18-19-42-39(47-37)44-29-20-26(3)38-28(22-29)24-43-48-38/h9-24H,7-8,25H2,1-6H3,(H,43,48)(H,42,44,47)(H2,45,46,51)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354294
PNG
(1-(3-(tert-Butyl)-1-(4-(diethylphosphoryl)phenyl)-...)
Show SMILES CCP(=O)(CC)c1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H40N7O3P/c1-6-49(47,7-2)28-19-17-27(18-20-28)45-34(25-33(44-45)38(3,4)5)42-37(46)41-31-21-22-32(30-16-12-11-15-29(30)31)48-35-23-24-39-36(43-35)40-26-13-9-8-10-14-26/h8-25H,6-7H2,1-5H3,(H,39,40,43)(H2,41,42,46)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354309
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C38H38N9O3P/c1-23(2)32-20-34(47(46-32)28-10-8-9-25(18-28)22-51(4,5)49)43-38(48)42-31-13-14-33(30-12-7-6-11-29(30)31)50-35-15-16-39-37(44-35)41-27-17-24(3)36-26(19-27)21-40-45-36/h6-21,23H,22H2,1-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354310
PNG
(3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C44H50N9O6P/c1-29(2)38-27-40(53(51-38)33-10-8-9-30(23-33)28-60(4,5)56)49-44(55)48-37-13-14-39(36-12-7-6-11-35(36)37)59-41-15-16-46-43(50-41)47-32-24-31(25-34(26-32)57-3)42(54)45-17-18-52-19-21-58-22-20-52/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354330
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(F)(F)F)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C45H49F3N9O5P/c1-44(2,3)38-27-39(57(55-38)33-10-8-9-29(23-33)28-63(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-32-25-30(24-31(26-32)45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354276
PNG
(1-(1-(4-(Dimethylphosphoryl)phenyl)-3-isopropyl-1H...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O
Show InChI InChI=1S/C35H34N7O3P/c1-23(2)30-22-32(42(41-30)25-14-16-26(17-15-25)46(3,4)44)39-35(43)38-29-18-19-31(28-13-9-8-12-27(28)29)45-33-20-21-36-34(40-33)37-24-10-6-5-7-11-24/h5-23H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354311
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H49N8O6P/c1-29(2)38-27-40(51(49-38)32-10-8-9-30(23-32)28-58(4,5)53)47-43(52)46-37-13-14-39(36-12-7-6-11-35(36)37)57-41-15-16-44-42(48-41)45-31-24-33(54-3)26-34(25-31)56-22-19-50-17-20-55-21-18-50/h6-16,23-27,29H,17-22,28H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354333
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C(F)(F)F)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C44H48F3N8O5P/c1-43(2,3)38-27-39(55(53-38)32-10-8-9-29(23-32)28-61(4,5)57)51-42(56)50-36-13-14-37(35-12-7-6-11-34(35)36)60-40-15-16-48-41(52-40)49-31-24-30(44(45,46)47)25-33(26-31)59-22-19-54-17-20-58-21-18-54/h6-16,23-27H,17-22,28H2,1-5H3,(H,48,49,52)(H2,50,51,56)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354273
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O
Show InChI InChI=1S/C36H36N7O3P/c1-36(2,3)31-23-32(43(42-31)25-15-17-26(18-16-25)47(4,5)45)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)46-33-21-22-37-34(41-33)38-24-11-7-6-8-12-24/h6-23H,1-5H3,(H,37,38,41)(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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM354275
PNG
(N-(4-((4-(3-(3-(tert-Butyl)-1-(4-(dimethylphosphor...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(cc3)P(C)(C)=O)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H37N6O5P/c1-34(2,3)29-20-31(40(39-29)22-11-13-24(14-12-22)46(5,6)43)38-33(42)36-27-15-16-28(26-10-8-7-9-25(26)27)45-23-17-18-35-30(19-23)37-32(41)21-44-4/h7-20H,21H2,1-6H3,(H,35,37,41)(H2,36,38,42)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3?? enzyme isoform (Invitrogen), are evaluated by determining the level of ac...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354331
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-(3-((dimethylphosph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC(F)(F)F)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C45H49F3N9O6P/c1-44(2,3)38-27-39(57(55-38)32-10-8-9-29(23-32)28-64(4,5)60)53-43(59)52-36-13-14-37(35-12-7-6-11-34(35)36)62-40-15-16-50-42(54-40)51-31-24-30(25-33(26-31)63-45(46,47)48)41(58)49-17-18-56-19-21-61-22-20-56/h6-16,23-27H,17-22,28H2,1-5H3,(H,49,58)(H,50,51,54)(H2,52,53,59)
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n/an/a 18n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354324
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H56N7O9P/c1-32(2)41-30-43(53(52-41)35-11-9-10-33(26-35)31-63(5,6)55)50-46(54)49-40-14-15-42(39-13-8-7-12-38(39)40)62-44-16-17-47-45(51-44)48-34-27-36(57-4)29-37(28-34)61-25-24-60-23-22-59-21-20-58-19-18-56-3/h7-17,26-30,32H,18-25,31H2,1-6H3,(H,47,48,51)(H2,49,50,54)
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n/an/a 18n/an/an/an/an/an/a



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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354329
PNG
(1-(4-((2-((3-cyano-5-(2-morpholinoethoxy)phenyl)am...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C#N)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C43H46N9O5P/c1-29(2)38-26-40(52(50-38)33-9-7-8-30(23-33)28-58(3,4)54)48-43(53)47-37-12-13-39(36-11-6-5-10-35(36)37)57-41-14-15-45-42(49-41)46-32-22-31(27-44)24-34(25-32)56-21-18-51-16-19-55-20-17-51/h5-15,22-26,29H,16-21,28H2,1-4H3,(H,45,46,49)(H2,47,48,53)
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n/an/a 21n/an/an/an/an/an/a



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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354317
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N7O8P/c1-30(2)39-28-41(51(50-39)33-11-9-10-31(24-33)29-60(5,6)53)48-44(52)47-38-14-15-40(37-13-8-7-12-36(37)38)59-42-16-17-45-43(49-42)46-32-25-34(55-4)27-35(26-32)58-23-22-57-21-20-56-19-18-54-3/h7-17,24-28,30H,18-23,29H2,1-6H3,(H,45,46,49)(H2,47,48,52)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354333
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OCCN5CCOCC5)cc(c4)C(F)(F)F)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C44H48F3N8O5P/c1-43(2,3)38-27-39(55(53-38)32-10-8-9-29(23-32)28-61(4,5)57)51-42(56)50-36-13-14-37(35-12-7-6-11-34(35)36)60-40-15-16-48-41(52-40)49-31-24-30(44(45,46)47)25-33(26-31)59-22-19-54-17-20-58-21-18-54/h6-16,23-27H,17-22,28H2,1-5H3,(H,48,49,52)(H2,50,51,56)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354322
PNG
(3-((4-((4-(3-(1-(3-((Dimethylphosphoryl)methyl)phe...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C45H51N8O6P/c1-30(2)40-28-43(53(51-40)34-10-8-9-31(23-34)29-60(4,5)56)50-45(55)49-39-13-14-41(38-12-7-6-11-37(38)39)59-35-15-16-46-42(27-35)48-33-24-32(25-36(26-33)57-3)44(54)47-17-18-52-19-21-58-22-20-52/h6-16,23-28,30H,17-22,29H2,1-5H3,(H,46,48)(H,47,54)(H2,49,50,55)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354302
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES CN(CCCO)c1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(cc3)P(C)(C)=O)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C34H40N7O4P/c1-34(2,3)29-22-30(41(39-29)23-12-14-24(15-13-23)46(5,6)44)37-33(43)36-27-16-17-28(26-11-8-7-10-25(26)27)45-31-18-19-35-32(38-31)40(4)20-9-21-42/h7-8,10-19,22,42H,9,20-21H2,1-6H3,(H2,36,37,43)
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Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354273
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O
Show InChI InChI=1S/C36H36N7O3P/c1-36(2,3)31-23-32(43(42-31)25-15-17-26(18-16-25)47(4,5)45)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)46-33-21-22-37-34(41-33)38-24-11-7-6-8-12-24/h6-23H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354295
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C37H38N7O3P/c1-37(2,3)32-23-33(44(43-32)27-15-11-12-25(22-27)24-48(4,5)46)41-36(45)40-30-18-19-31(29-17-10-9-16-28(29)30)47-34-20-21-38-35(42-34)39-26-13-7-6-8-14-26/h6-23H,24H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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Respivert Limited; Topivert Pharma Limited

US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354293
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C38H38N9O3P/c1-23-19-25(20-24-22-40-45-35(23)24)41-36-39-18-17-34(44-36)50-31-16-15-30(28-9-7-8-10-29(28)31)42-37(48)43-33-21-32(38(2,3)4)46-47(33)26-11-13-27(14-12-26)51(5,6)49/h7-22H,1-6H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354314
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C37H37N6O3P/c1-25(2)33-23-36(43(42-33)28-14-10-11-26(21-28)24-47(3,4)45)41-37(44)40-32-17-18-34(31-16-9-8-15-30(31)32)46-29-19-20-38-35(22-29)39-27-12-6-5-7-13-27/h5-23,25H,24H2,1-4H3,(H,38,39)(H2,40,41,44)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM354313
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C38H39N6O3P/c1-38(2,3)34-24-36(44(43-34)28-15-11-12-26(22-28)25-48(4,5)46)42-37(45)41-32-18-19-33(31-17-10-9-16-30(31)32)47-29-20-21-39-35(23-29)40-27-13-7-6-8-14-27/h6-24H,25H2,1-5H3,(H,39,40)(H2,41,42,45)
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US Patent


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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354287
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylphosphoryl)phenyl)...)
Show SMILES CN(c1ccccc1)c1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(cc3)P(C)(C)=O)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C37H38N7O3P/c1-37(2,3)32-24-33(44(42-32)26-16-18-27(19-17-26)48(5,6)46)40-36(45)39-30-20-21-31(29-15-11-10-14-28(29)30)47-34-22-23-38-35(41-34)43(4)25-12-8-7-9-13-25/h7-24H,1-6H3,(H2,39,40,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354323
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)C)c4ccccc34)ccn2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C44H50N7O6P/c1-30(2)40-28-43(51(49-40)33-10-8-9-31(23-33)29-58(4,5)53)48-44(52)47-39-13-14-41(38-12-7-6-11-37(38)39)57-34-15-16-45-42(27-34)46-32-24-35(54-3)26-36(25-32)56-22-19-50-17-20-55-21-18-50/h6-16,23-28,30H,17-22,29H2,1-5H3,(H,45,46)(H2,47,48,52)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354304
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C39H40N9O3P/c1-24-18-27(20-26-22-41-46-36(24)26)42-37-40-17-16-35(45-37)51-32-15-14-31(29-12-7-8-13-30(29)32)43-38(49)44-34-21-33(39(2,3)4)47-48(34)28-11-9-10-25(19-28)23-52(5,6)50/h7-22H,23H2,1-6H3,(H,41,46)(H,40,42,45)(H2,43,44,49)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM354314
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C37H37N6O3P/c1-25(2)33-23-36(43(42-33)28-14-10-11-26(21-28)24-47(3,4)45)41-37(44)40-32-17-18-34(31-16-9-8-15-30(31)32)46-29-19-20-38-35(22-29)39-27-12-6-5-7-13-27/h5-23,25H,24H2,1-4H3,(H,38,39)(H2,40,41,44)
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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 US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354294
PNG
(1-(3-(tert-Butyl)-1-(4-(diethylphosphoryl)phenyl)-...)
Show SMILES CCP(=O)(CC)c1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H40N7O3P/c1-6-49(47,7-2)28-19-17-27(18-20-28)45-34(25-33(44-45)38(3,4)5)42-37(46)41-31-21-22-32(30-16-12-11-15-29(30)31)48-35-23-24-39-36(43-35)40-26-13-9-8-10-14-26/h8-25H,6-7H2,1-5H3,(H,39,40,43)(H2,41,42,46)
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US Patent
n/an/a 67n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM354292
PNG
(1-(4-((2-((3-Aminobenzo[d]isoxazol-5-yl)amino)pyri...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5onc(N)c5c4)n3)c3ccccc23)n(n1)-c1ccc(cc1)P(C)(C)=O
Show InChI InChI=1S/C37H36N9O4P/c1-37(2,3)31-21-32(46(44-31)23-11-13-24(14-12-23)51(4,5)48)42-36(47)41-28-15-17-29(26-9-7-6-8-25(26)28)49-33-18-19-39-35(43-33)40-22-10-16-30-27(20-22)34(38)45-50-30/h6-21H,1-5H3,(H2,38,45)(H,39,40,43)(H2,41,42,47)
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US Patent
n/an/a 68n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354309
PNG
(1-(1-(3-((Dimethylphosphoryl)methyl)phenyl)-3-isop...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(CP(C)(C)=O)c1
Show InChI InChI=1S/C38H38N9O3P/c1-23(2)32-20-34(47(46-32)28-10-8-9-25(18-28)22-51(4,5)49)43-38(48)42-31-13-14-33(30-12-7-6-11-29(30)31)50-35-15-16-39-37(44-35)41-27-17-24(3)36-26(19-27)21-40-45-36/h6-21,23H,22H2,1-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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US Patent
n/an/a 70n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM354332
PNG
(1-(3-(tert-Butyl)-1-(3-((dimethylphosphoryl)methyl...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CP(C)(C)=O)c4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C45H54N7O8P/c1-45(2,3)40-29-41(52(51-40)33-12-10-11-31(25-33)30-61(6,7)54)49-44(53)48-38-15-16-39(37-14-9-8-13-36(37)38)60-42-17-18-46-43(50-42)47-32-26-34(56-5)28-35(27-32)59-24-23-58-22-21-57-20-19-55-4/h8-18,25-29H,19-24,30H2,1-7H3,(H,46,47,50)(H2,48,49,53)
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US Patent
n/an/a 71n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9796742 (2017)


BindingDB Entry DOI: 10.7270/Q2KW5J5M
More data for this
Ligand-Target Pair
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