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Patent code US9790209

Compile Data Set for Download or QSAR
Found 47 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347674
PNG
(3-Ethynyl-5-((4-((4-(3-(3-(2-methylbut-3-yn-2-yl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C45H43N9O4/c1-6-31-26-32(42(55)46-20-21-53-22-24-57-25-23-53)28-33(27-31)48-43-47-19-18-41(51-43)58-38-17-16-37(35-10-8-9-11-36(35)38)49-44(56)50-40-29-39(45(4,5)7-2)52-54(40)34-14-12-30(3)13-15-34/h1-2,8-19,26-29H,20-25H2,3-5H3,(H,46,55)(H,47,48,51)(H2,49,50,56)
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n/an/a 16n/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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347672
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxy)etho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H47N7O7/c1-7-44(3,4)39-29-40(51(50-39)32-14-12-30(2)13-15-32)48-43(52)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-6)28-34(27-31)57-25-24-56-23-22-55-21-20-53-5/h1,8-19,26-29H,20-25H2,2-6H3,(H,45,46,49)(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347675
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)n3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C41H41N9O4/c1-5-41(3,4)34-27-36(50(48-34)29-15-13-28(2)14-16-29)46-40(51)43-32-17-18-33(31-10-7-6-9-30(31)32)54-38-19-20-42-39(47-38)45-35-11-8-12-37(44-35)53-26-23-49-21-24-52-25-22-49/h1,6-20,27H,21-26H2,2-4H3,(H2,43,46,51)(H,42,44,45,47)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347667
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H44N8O5/c1-6-43(3,4)38-28-39(51(49-38)31-13-11-29(2)12-14-31)47-42(52)46-36-15-16-37(35-10-8-7-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-24-21-50-19-22-54-23-20-50/h1,7-18,25-28H,19-24H2,2-5H3,(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM256621
PNG
(US9481648, Ref Cpd A | US9790209, Example 2)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H33N9O2/c1-6-38(4,5)32-21-33(47(46-32)27-13-11-23(2)12-14-27)43-37(48)42-30-15-16-31(29-10-8-7-9-28(29)30)49-34-17-18-39-36(44-34)41-26-19-24(3)35-25(20-26)22-40-45-35/h1,7-22H,2-5H3,(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 c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347667
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H44N8O5/c1-6-43(3,4)38-28-39(51(49-38)31-13-11-29(2)12-14-31)47-42(52)46-36-15-16-37(35-10-8-7-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-24-21-50-19-22-54-23-20-50/h1,7-18,25-28H,19-24H2,2-5H3,(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347673
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC(F)(F)F)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O5/c1-5-43(3,4)37-27-38(56(54-37)31-12-10-28(2)11-13-31)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-30-24-29(25-32(26-30)61-44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347674
PNG
(3-Ethynyl-5-((4-((4-(3-(3-(2-methylbut-3-yn-2-yl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C45H43N9O4/c1-6-31-26-32(42(55)46-20-21-53-22-24-57-25-23-53)28-33(27-31)48-43-47-19-18-41(51-43)58-38-17-16-37(35-10-8-9-11-36(35)38)49-44(56)50-40-29-39(45(4,5)7-2)52-54(40)34-14-12-30(3)13-15-34/h1-2,8-19,26-29H,20-25H2,3-5H3,(H,46,55)(H,47,48,51)(H2,49,50,56)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347669
PNG
(1-(4-((2-((6-(2-(Dimethylamino)ethoxy)pyridin-2-yl...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)n1
Show InChI InChI=1S/C39H39N9O3/c1-7-39(3,4)32-25-34(48(46-32)27-17-15-26(2)16-18-27)44-38(49)41-30-19-20-31(29-12-9-8-11-28(29)30)51-36-21-22-40-37(45-36)43-33-13-10-14-35(42-33)50-24-23-47(5)6/h1,8-22,25H,23-24H2,2-6H3,(H2,41,44,49)(H,40,42,43,45)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM256621
PNG
(US9481648, Ref Cpd A | US9790209, Example 2)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H33N9O2/c1-6-38(4,5)32-21-33(47(46-32)27-13-11-23(2)12-14-27)43-37(48)42-30-15-16-31(29-10-8-7-9-28(29)30)49-34-17-18-39-36(44-34)41-26-19-24(3)35-25(20-26)22-40-45-35/h1,7-22H,2-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347660
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C36H31N7O2/c1-5-36(3,4)31-23-32(43(42-31)26-17-15-24(2)16-18-26)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)45-33-21-22-37-34(41-33)38-25-11-7-6-8-12-25/h1,6-23H,2-4H3,(H,37,38,41)(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347672
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxy)etho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H47N7O7/c1-7-44(3,4)39-29-40(51(50-39)32-14-12-30(2)13-15-32)48-43(52)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-6)28-34(27-31)57-25-24-56-23-22-55-21-20-53-5/h1,8-19,26-29H,20-25H2,2-6H3,(H,45,46,49)(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347674
PNG
(3-Ethynyl-5-((4-((4-(3-(3-(2-methylbut-3-yn-2-yl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C45H43N9O4/c1-6-31-26-32(42(55)46-20-21-53-22-24-57-25-23-53)28-33(27-31)48-43-47-19-18-41(51-43)58-38-17-16-37(35-10-8-9-11-36(35)38)49-44(56)50-40-29-39(45(4,5)7-2)52-54(40)34-14-12-30(3)13-15-34/h1-2,8-19,26-29H,20-25H2,3-5H3,(H,46,55)(H,47,48,51)(H2,49,50,56)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347671
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O4/c1-5-43(3,4)37-27-38(56(54-37)32-12-10-28(2)11-13-32)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-31-25-29(24-30(26-31)44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347666
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)c2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C37H32N6O2/c1-5-37(3,4)33-24-35(43(42-33)27-17-15-25(2)16-18-27)41-36(44)40-31-19-20-32(30-14-10-9-13-29(30)31)45-28-21-22-38-34(23-28)39-26-11-7-6-8-12-26/h1,6-24H,2-4H3,(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347660
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C36H31N7O2/c1-5-36(3,4)31-23-32(43(42-31)26-17-15-24(2)16-18-26)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)45-33-21-22-37-34(41-33)38-25-11-7-6-8-12-25/h1,6-23H,2-4H3,(H,37,38,41)(H2,39,40,44)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347662
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H32N8O3/c1-5-38(3,4)32-22-33(46(45-32)26-14-10-23(2)11-15-26)43-37(48)42-29-16-17-31(28-9-7-6-8-27(28)29)49-35-18-19-39-36(44-35)40-25-13-12-24-20-34(47)41-30(24)21-25/h1,6-19,21-22H,20H2,2-4H3,(H,41,47)(H,39,40,44)(H2,42,43,48)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347662
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H32N8O3/c1-5-38(3,4)32-22-33(46(45-32)26-14-10-23(2)11-15-26)43-37(48)42-29-16-17-31(28-9-7-6-8-27(28)29)49-35-18-19-39-36(44-35)40-25-13-12-24-20-34(47)41-30(24)21-25/h1,6-19,21-22H,20H2,2-4H3,(H,41,47)(H,39,40,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347675
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)n3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C41H41N9O4/c1-5-41(3,4)34-27-36(50(48-34)29-15-13-28(2)14-16-29)46-40(51)43-32-17-18-33(31-10-7-6-9-30(31)32)54-38-19-20-42-39(47-38)45-35-11-8-12-37(44-35)53-26-23-49-21-24-52-25-22-49/h1,6-20,27H,21-26H2,2-4H3,(H2,43,46,51)(H,42,44,45,47)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347672
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxy)etho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H47N7O7/c1-7-44(3,4)39-29-40(51(50-39)32-14-12-30(2)13-15-32)48-43(52)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-6)28-34(27-31)57-25-24-56-23-22-55-21-20-53-5/h1,8-19,26-29H,20-25H2,2-6H3,(H,45,46,49)(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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347671
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O4/c1-5-43(3,4)37-27-38(56(54-37)32-12-10-28(2)11-13-32)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-31-25-29(24-30(26-31)44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347666
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)c2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C37H32N6O2/c1-5-37(3,4)33-24-35(43(42-33)27-17-15-25(2)16-18-27)41-36(44)40-31-19-20-32(30-14-10-9-13-29(30)31)45-28-21-22-38-34(23-28)39-26-11-7-6-8-12-26/h1,6-24H,2-4H3,(H,38,39)(H2,40,41,44)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347672
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxy)etho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H47N7O7/c1-7-44(3,4)39-29-40(51(50-39)32-14-12-30(2)13-15-32)48-43(52)47-37-16-17-38(36-11-9-8-10-35(36)37)58-41-18-19-45-42(49-41)46-31-26-33(54-6)28-34(27-31)57-25-24-56-23-22-55-21-20-53-5/h1,8-19,26-29H,20-25H2,2-6H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM347662
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H32N8O3/c1-5-38(3,4)32-22-33(46(45-32)26-14-10-23(2)11-15-26)43-37(48)42-29-16-17-31(28-9-7-6-8-27(28)29)49-35-18-19-39-36(44-35)40-25-13-12-24-20-34(47)41-30(24)21-25/h1,6-19,21-22H,20H2,2-4H3,(H,41,47)(H,39,40,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347673
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC(F)(F)F)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O5/c1-5-43(3,4)37-27-38(56(54-37)31-12-10-28(2)11-13-31)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-30-24-29(25-32(26-30)61-44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347671
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O4/c1-5-43(3,4)37-27-38(56(54-37)32-12-10-28(2)11-13-32)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-31-25-29(24-30(26-31)44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347673
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC(F)(F)F)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O5/c1-5-43(3,4)37-27-38(56(54-37)31-12-10-28(2)11-13-31)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-30-24-29(25-32(26-30)61-44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347665
PNG
(1-(4-((2-((3-(2-(Dimethylamino)ethoxy)phenyl)amino...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)c1
Show InChI InChI=1S/C40H40N8O3/c1-7-40(3,4)35-26-36(48(46-35)29-17-15-27(2)16-18-29)44-39(49)43-33-19-20-34(32-14-9-8-13-31(32)33)51-37-21-22-41-38(45-37)42-28-11-10-12-30(25-28)50-24-23-47(5)6/h1,8-22,25-26H,23-24H2,2-6H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347666
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)c2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C37H32N6O2/c1-5-37(3,4)33-24-35(43(42-33)27-17-15-25(2)16-18-27)41-36(44)40-31-19-20-32(30-14-10-9-13-29(30)31)45-28-21-22-38-34(23-28)39-26-11-7-6-8-12-26/h1,6-24H,2-4H3,(H,38,39)(H2,40,41,44)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM347673
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC(F)(F)F)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O5/c1-5-43(3,4)37-27-38(56(54-37)31-12-10-28(2)11-13-31)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-30-24-29(25-32(26-30)61-44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347671
PNG
(3-((4-((4-(3-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(F)(F)F)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C44H42F3N9O4/c1-5-43(3,4)37-27-38(56(54-37)32-12-10-28(2)11-13-32)52-42(58)51-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-49-41(53-39)50-31-25-29(24-30(26-31)44(45,46)47)40(57)48-18-19-55-20-22-59-23-21-55/h1,6-17,24-27H,18-23H2,2-4H3,(H,48,57)(H,49,50,53)(H2,51,52,58)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347674
PNG
(3-Ethynyl-5-((4-((4-(3-(3-(2-methylbut-3-yn-2-yl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C45H43N9O4/c1-6-31-26-32(42(55)46-20-21-53-22-24-57-25-23-53)28-33(27-31)48-43-47-19-18-41(51-43)58-38-17-16-37(35-10-8-9-11-36(35)38)49-44(56)50-40-29-39(45(4,5)7-2)52-54(40)34-14-12-30(3)13-15-34/h1-2,8-19,26-29H,20-25H2,3-5H3,(H,46,55)(H,47,48,51)(H2,49,50,56)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347675
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)n3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C41H41N9O4/c1-5-41(3,4)34-27-36(50(48-34)29-15-13-28(2)14-16-29)46-40(51)43-32-17-18-33(31-10-7-6-9-30(31)32)54-38-19-20-42-39(47-38)45-35-11-8-12-37(44-35)53-26-23-49-21-24-52-25-22-49/h1,6-20,27H,21-26H2,2-4H3,(H2,43,46,51)(H,42,44,45,47)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256621
PNG
(US9481648, Ref Cpd A | US9790209, Example 2)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H33N9O2/c1-6-38(4,5)32-21-33(47(46-32)27-13-11-23(2)12-14-27)43-37(48)42-30-15-16-31(29-10-8-7-9-28(29)30)49-34-17-18-39-36(44-34)41-26-19-24(3)35-25(20-26)22-40-45-35/h1,7-22H,2-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347663
PNG
(3-Methoxy-5-((4-((4-(3-(3-(2-methylbut-3-yn-2-yl)-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C44H45N9O5/c1-6-44(3,4)38-28-39(53(51-38)32-13-11-29(2)12-14-32)49-43(55)48-36-15-16-37(35-10-8-7-9-34(35)36)58-40-17-18-46-42(50-40)47-31-25-30(26-33(27-31)56-5)41(54)45-19-20-52-21-23-57-24-22-52/h1,7-18,25-28H,19-24H2,2-5H3,(H,45,54)(H,46,47,50)(H2,48,49,55)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347664
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C42H42N8O4/c1-5-42(3,4)37-28-38(50(48-37)31-15-13-29(2)14-16-31)46-41(51)45-35-17-18-36(34-12-7-6-11-33(34)35)54-39-19-20-43-40(47-39)44-30-9-8-10-32(27-30)53-26-23-49-21-24-52-25-22-49/h1,6-20,27-28H,21-26H2,2-4H3,(H,43,44,47)(H2,45,46,51)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM347660
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C36H31N7O2/c1-5-36(3,4)31-23-32(43(42-31)26-17-15-24(2)16-18-26)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)45-33-21-22-37-34(41-33)38-25-11-7-6-8-12-25/h1,6-23H,2-4H3,(H,37,38,41)(H2,39,40,44)
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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 US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347669
PNG
(1-(4-((2-((6-(2-(Dimethylamino)ethoxy)pyridin-2-yl...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)n1
Show InChI InChI=1S/C39H39N9O3/c1-7-39(3,4)32-25-34(48(46-32)27-17-15-26(2)16-18-27)44-38(49)41-30-19-20-31(29-12-9-8-11-28(29)30)51-36-21-22-40-37(45-36)43-33-13-10-14-35(42-33)50-24-23-47(5)6/h1,8-22,25H,23-24H2,2-6H3,(H2,41,44,49)(H,40,42,43,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347667
PNG
(1-(4-((2-((3-Methoxy-5-(2-morpholinoethoxy)phenyl)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C43H44N8O5/c1-6-43(3,4)38-28-39(51(49-38)31-13-11-29(2)12-14-31)47-42(52)46-36-15-16-37(35-10-8-7-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-24-21-50-19-22-54-23-20-50/h1,7-18,25-28H,19-24H2,2-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347660
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C36H31N7O2/c1-5-36(3,4)31-23-32(43(42-31)26-17-15-24(2)16-18-26)40-35(44)39-29-19-20-30(28-14-10-9-13-27(28)29)45-33-21-22-37-34(41-33)38-25-11-7-6-8-12-25/h1,6-23H,2-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347676
PNG
(1-(4-((2-((6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)n1
Show InChI InChI=1S/C42H44N8O6/c1-6-42(3,4)35-28-37(50(49-35)30-16-14-29(2)15-17-30)47-41(51)44-33-18-19-34(32-11-8-7-10-31(32)33)56-39-20-21-43-40(48-39)46-36-12-9-13-38(45-36)55-27-26-54-25-24-53-23-22-52-5/h1,7-21,28H,22-27H2,2-5H3,(H2,44,47,51)(H,43,45,46,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347675
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OCCN4CCOCC4)n3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C41H41N9O4/c1-5-41(3,4)34-27-36(50(48-34)29-15-13-28(2)14-16-29)46-40(51)43-32-17-18-33(31-10-7-6-9-30(31)32)54-38-19-20-42-39(47-38)45-35-11-8-12-37(44-35)53-26-23-49-21-24-52-25-22-49/h1,6-20,27H,21-26H2,2-4H3,(H2,43,46,51)(H,42,44,45,47)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347668
PNG
(1-(2,3-Dichloro-4-((2-((7-methyl-1H-indazol-5-yl)a...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c(Cl)c1Cl)C(C)(C)C#C
Show InChI InChI=1S/C34H29Cl2N9O2/c1-6-34(4,5)26-17-27(45(44-26)23-9-7-19(2)8-10-23)41-33(46)40-24-11-12-25(30(36)29(24)35)47-28-13-14-37-32(42-28)39-22-15-20(3)31-21(16-22)18-38-43-31/h1,7-18H,2-5H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347662
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4CC(=O)Nc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H32N8O3/c1-5-38(3,4)32-22-33(46(45-32)26-14-10-23(2)11-15-26)43-37(48)42-29-16-17-31(28-9-7-6-8-27(28)29)49-35-18-19-39-36(44-35)40-25-13-12-24-20-34(47)41-30(24)21-25/h1,6-19,21-22H,20H2,2-4H3,(H,41,47)(H,39,40,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347670
PNG
(1-(4-((2-((4-(2-(Dimethylamino)ethoxy)pyridin-2-yl...)
Show SMILES CN(C)CCOc1ccnc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C#C)c4ccccc34)n2)c1
Show InChI InChI=1S/C39H39N9O3/c1-7-39(3,4)33-25-35(48(46-33)27-14-12-26(2)13-15-27)44-38(49)42-31-16-17-32(30-11-9-8-10-29(30)31)51-36-19-21-41-37(45-36)43-34-24-28(18-20-40-34)50-23-22-47(5)6/h1,8-21,24-25H,22-23H2,2-6H3,(H2,42,44,49)(H,40,41,43,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM256621
PNG
(US9481648, Ref Cpd A | US9790209, Example 2)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C38H33N9O2/c1-6-38(4,5)32-21-33(47(46-32)27-13-11-23(2)12-14-27)43-37(48)42-30-15-16-31(29-10-8-7-9-28(29)30)49-34-17-18-39-36(44-34)41-26-19-24(3)35-25(20-26)22-40-45-35/h1,7-22H,2-5H3,(H,40,45)(H,39,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM347666
PNG
(1-(3-(2-Methylbut-3-yn-2-yl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)c2)c2ccccc12)C(C)(C)C#C
Show InChI InChI=1S/C37H32N6O2/c1-5-37(3,4)33-24-35(43(42-33)27-17-15-25(2)16-18-27)41-36(44)40-31-19-20-32(30-14-10-9-13-29(30)31)45-28-21-22-38-34(23-28)39-26-11-7-6-8-12-26/h1,6-24H,2-4H3,(H,38,39)(H2,40,41,44)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9790209 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%