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Patent code US9732063

Compile Data Set for Download or QSAR
Found 194 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))		BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334378
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334346
PNG
(1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...)
Show SMILES COCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H55N7O9/c1-32(2)41-31-43(53(52-41)35-12-10-33(3)11-13-35)50-46(54)49-40-14-15-42(39-9-7-6-8-38(39)40)62-44-16-17-47-45(51-44)48-34-28-36(56-5)30-37(29-34)61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-55-4/h6-17,28-32H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,54)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334335
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OCCOCCOCCO)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C40H43N7O6/c1-27(2)35-26-37(47(46-35)30-13-11-28(3)12-14-30)44-40(49)43-34-15-16-36(33-10-5-4-9-32(33)34)53-38-17-18-41-39(45-38)42-29-7-6-8-31(25-29)52-24-23-51-22-21-50-20-19-48/h4-18,25-27,48H,19-24H2,1-3H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334378
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H51N7O8/c1-30(2)39-29-41(51(50-39)33-12-10-31(3)11-13-33)48-44(52)47-38-14-15-40(37-9-7-6-8-36(37)38)59-42-16-17-45-43(49-42)46-32-26-34(54-5)28-35(27-32)58-25-24-57-23-22-56-21-20-55-19-18-53-4/h6-17,26-30H,18-25H2,1-5H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334373
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1
Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)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(54-7)28-34(27-31)57-25-24-56-23-22-55-21-20-51(5)6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)N=S(C)(C)=O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H37N9O4S/c1-36(2,3)30-21-31(45(43-30)25-14-17-32(48-4)38-22-25)41-35(46)40-28-15-16-29(27-13-8-7-12-26(27)28)49-33-18-19-37-34(42-33)39-23-10-9-11-24(20-23)44-50(5,6)47/h7-22H,1-6H3,(H,37,39,42)(H2,40,41,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334373
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1
Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)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(54-7)28-34(27-31)57-25-24-56-23-22-55-21-20-51(5)6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334360
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O8/c1-43(2,3)38-28-39(50(49-38)30-11-13-31(53-5)14-12-30)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)58-40-17-18-44-41(48-40)45-29-25-32(54-6)27-33(26-29)57-24-23-56-22-21-55-20-19-52-4/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334354
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H48N8O8/c1-42(2,3)36-26-37(50(49-36)29-11-14-38(54-6)44-27-29)47-41(51)46-34-12-13-35(33-10-8-7-9-32(33)34)58-39-15-16-43-40(48-39)45-28-23-30(53-5)25-31(24-28)57-22-21-56-20-19-55-18-17-52-4/h7-16,23-27H,17-22H2,1-6H3,(H,43,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334329
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O7/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)56-40-16-17-43-41(47-40)44-30-24-32(52-5)26-33(25-30)55-23-22-54-21-20-53-19-18-51-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334367
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C51H65N7O11/c1-37-11-13-39(14-12-37)58-47(36-46(57-58)51(2,3)4)55-50(59)54-44-15-16-45(43-10-8-7-9-42(43)44)69-48-17-18-52-49(56-48)53-38-33-40(61-6)35-41(34-38)68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-60-5/h7-18,33-36H,19-32H2,1-6H3,(H,52,53,56)(H2,54,55,59)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334353
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O7/c1-29-11-13-31(14-12-29)50-39(28-38(49-50)43(2,3)4)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)57-40-17-18-44-41(48-40)45-30-25-32(53-6)27-33(26-30)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334346
PNG
(1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...)
Show SMILES COCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H55N7O9/c1-32(2)41-31-43(53(52-41)35-12-10-33(3)11-13-35)50-46(54)49-40-14-15-42(39-9-7-6-8-38(39)40)62-44-16-17-47-45(51-44)48-34-28-36(56-5)30-37(29-34)61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-55-4/h6-17,28-32H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,54)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334361
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O5/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)55-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)54-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334379
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylamino)phenyl)-1H-p...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)N(C)C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O7/c1-44(2,3)39-29-40(52(50-39)32-14-12-31(13-15-32)51(4)5)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)59-41-18-19-45-42(49-41)46-30-26-33(55-7)28-34(27-30)58-25-24-57-23-22-56-21-20-54-6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334385
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)n1
Show InChI InChI=1S/C42H48N8O7/c1-28-11-13-30(14-12-28)50-36(27-35(49-50)42(2,3)4)46-41(51)45-33-15-16-34(32-10-8-7-9-31(32)33)57-37-17-18-43-40(48-37)44-29-25-38(53-6)47-39(26-29)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-27H,19-24H2,1-6H3,(H2,45,46,51)(H,43,44,47,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334361
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O5/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)55-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)54-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)N=S(C)(C)=O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H37N9O4S/c1-36(2,3)30-21-31(45(43-30)25-14-17-32(48-4)38-22-25)41-35(46)40-28-15-16-29(27-13-8-7-12-26(27)28)49-33-18-19-37-34(42-33)39-23-10-9-11-24(20-23)44-50(5,6)47/h7-22H,1-6H3,(H,37,39,42)(H2,40,41,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334351
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-(2-(2-metho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24(2)31-23-33(47(46-31)27-8-6-25(3)7-9-27)44-38(48)43-30-10-11-32(36(40)35(30)39)54-34-12-13-41-37(45-34)42-26-20-28(50-5)22-29(21-26)53-19-18-52-17-16-51-15-14-49-4/h6-13,20-24H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334379
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylamino)phenyl)-1H-p...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)N(C)C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O7/c1-44(2,3)39-29-40(52(50-39)32-14-12-31(13-15-32)51(4)5)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)59-41-18-19-45-42(49-41)46-30-26-33(55-7)28-34(27-30)58-25-24-57-23-22-56-21-20-54-6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H51N7O8/c1-30(2)39-29-41(51(50-39)33-12-10-31(3)11-13-33)48-44(52)47-38-14-15-40(37-9-7-6-8-36(37)38)59-42-16-17-45-43(49-42)46-32-26-34(54-5)28-35(27-32)58-25-24-57-23-22-56-21-20-55-19-18-53-4/h6-17,26-30H,18-25H2,1-5H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OS(C)(=O)=O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H34N8O6S/c1-35(2,3)29-20-30(43(42-29)23-13-16-31(47-4)37-21-23)40-34(44)39-27-14-15-28(26-12-7-6-11-25(26)27)48-32-17-18-36-33(41-32)38-22-9-8-10-24(19-22)49-50(5,45)46/h6-21H,1-5H3,(H,36,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334329
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O7/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)56-40-16-17-43-41(47-40)44-30-24-32(52-5)26-33(25-30)55-23-22-54-21-20-53-19-18-51-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334376
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H45N7O6/c1-27-11-13-29(14-12-27)48-37(26-36(47-48)41(2,3)4)45-40(49)44-34-15-16-35(33-10-8-7-9-32(33)34)54-38-17-18-42-39(46-38)43-28-23-30(51-6)25-31(24-28)53-22-21-52-20-19-50-5/h7-18,23-26H,19-22H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334367
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C51H65N7O11/c1-37-11-13-39(14-12-37)58-47(36-46(57-58)51(2,3)4)55-50(59)54-44-15-16-45(43-10-8-7-9-42(43)44)69-48-17-18-52-49(56-48)53-38-33-40(61-6)35-41(34-38)68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-60-5/h7-18,33-36H,19-32H2,1-6H3,(H,52,53,56)(H2,54,55,59)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334387
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24-6-8-26(9-7-24)47-32(23-31(46-47)38(2,3)4)44-37(49)43-29-10-11-30(35(40)34(29)39)54-33-12-13-41-36(45-33)42-25-20-27(50-5)22-28(21-25)53-19-18-52-17-16-51-15-14-48/h6-13,20-23,48H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334335
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OCCOCCOCCO)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C40H43N7O6/c1-27(2)35-26-37(47(46-35)30-13-11-28(3)12-14-30)44-40(49)43-34-15-16-36(33-10-5-4-9-32(33)34)53-38-17-18-41-39(45-38)42-29-7-6-8-31(25-29)52-24-23-51-22-21-50-20-19-48/h4-18,25-27,48H,19-24H2,1-3H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334365
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O5/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-22-8-19-50-20-23-54-24-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334327
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OS(C)(=O)=O)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H33N7O5S/c1-22(2)30-21-32(42(41-30)25-14-12-23(3)13-15-25)39-35(43)38-29-16-17-31(28-11-6-5-10-27(28)29)46-33-18-19-36-34(40-33)37-24-8-7-9-26(20-24)47-48(4,44)45/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334364
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCO)c1
Show InChI InChI=1S/C39H41N7O4S/c1-25-11-13-27(14-12-25)46-35(24-34(45-46)39(2,3)4)43-38(48)42-32-15-16-33(31-10-7-6-9-30(31)32)50-36-17-18-40-37(44-36)41-26-21-28(49-5)23-29(22-26)51-20-8-19-47/h6-7,9-18,21-24,47H,8,19-20H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334387
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24-6-8-26(9-7-24)47-32(23-31(46-47)38(2,3)4)44-37(49)43-29-10-11-30(35(40)34(29)39)54-33-12-13-41-36(45-33)42-25-20-27(50-5)22-28(21-25)53-19-18-52-17-16-51-15-14-48/h6-13,20-23,48H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334365
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O5/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-22-8-19-50-20-23-54-24-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334360
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O8/c1-43(2,3)38-28-39(50(49-38)30-11-13-31(53-5)14-12-30)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)58-40-17-18-44-41(48-40)45-29-25-32(54-6)27-33(26-29)57-24-23-56-22-21-55-20-19-52-4/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334369
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C39H45Cl2N7O7/c1-25-7-9-27(10-8-25)48-33(24-32(47-48)39(2,3)4)45-38(49)44-30-11-12-31(36(41)35(30)40)55-34-13-14-42-37(46-34)43-26-21-28(51-6)23-29(22-26)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-24H,15-20H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334371
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C38H39N7O4S/c1-24-10-12-26(13-11-24)45-34(23-33(44-45)38(2,3)4)42-37(47)41-31-14-15-32(30-9-7-6-8-29(30)31)49-35-16-17-39-36(43-35)40-25-20-27(48-5)22-28(21-25)50-19-18-46/h6-17,20-23,46H,18-19H2,1-5H3,(H,39,40,43)(H2,41,42,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334354
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H48N8O8/c1-42(2,3)36-26-37(50(49-36)29-11-14-38(54-6)44-27-29)47-41(51)46-34-12-13-35(33-10-8-7-9-32(33)34)58-39-15-16-43-40(48-39)45-28-23-30(53-5)25-31(24-28)57-22-21-56-20-19-55-18-17-52-4/h7-16,23-27H,17-22H2,1-6H3,(H,43,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C41H45N7O6/c1-28(2)36-27-38(48(47-36)31-14-12-29(3)13-15-31)45-41(49)44-35-16-17-37(34-11-6-5-10-33(34)35)54-39-18-19-42-40(46-39)43-30-8-7-9-32(26-30)53-25-24-52-23-22-51-21-20-50-4/h5-19,26-28H,20-25H2,1-4H3,(H,42,43,46)(H2,44,45,49)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334385
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)n1
Show InChI InChI=1S/C42H48N8O7/c1-28-11-13-30(14-12-28)50-36(27-35(49-50)42(2,3)4)46-41(51)45-33-15-16-34(32-10-8-7-9-31(32)33)57-37-17-18-43-40(48-37)44-29-25-38(53-6)47-39(26-29)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-27H,19-24H2,1-6H3,(H2,45,46,51)(H,43,44,47,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334334
PNG
(1-(4-((2-((3-(Cyclopropylsulfonyl)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H37N7O5S/c1-23(2)33-22-35(45(44-33)26-11-9-24(3)10-12-26)42-38(46)41-32-15-16-34(31-8-6-5-7-30(31)32)50-36-17-18-39-37(43-36)40-25-19-27(49-4)21-29(20-25)51(47,48)28-13-14-28/h5-12,15-23,28H,13-14H2,1-4H3,(H,39,40,43)(H2,41,42,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334358
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O4S/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)55-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)56-24-8-19-50-20-22-54-23-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334317
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C#N)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H31N9O3/c1-35(2,3)29-19-30(44(43-29)24-12-15-31(46-4)38-21-24)41-34(45)40-27-13-14-28(26-11-6-5-10-25(26)27)47-32-16-17-37-33(42-32)39-23-9-7-8-22(18-23)20-36/h5-19,21H,1-4H3,(H,37,39,42)(H2,40,41,45)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334372
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H50N6O7/c1-30-11-13-32(14-12-30)50-42(29-40(49-50)44(2,3)4)48-43(51)47-38-15-16-39(37-10-8-7-9-36(37)38)57-33-17-18-45-41(28-33)46-31-25-34(53-6)27-35(26-31)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-29H,19-24H2,1-6H3,(H,45,46)(H2,47,48,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OS(C)(=O)=O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H34N8O6S/c1-35(2,3)29-20-30(43(42-29)23-13-16-31(47-4)37-21-23)40-34(44)39-27-14-15-28(26-12-7-6-11-25(26)27)48-32-17-18-36-33(41-32)38-22-9-8-10-24(19-22)49-50(5,45)46/h6-21H,1-5H3,(H,36,38,41)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334351
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-(2-(2-metho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24(2)31-23-33(47(46-31)27-8-6-25(3)7-9-27)44-38(48)43-30-10-11-32(36(40)35(30)39)54-34-12-13-41-37(45-34)42-26-20-28(50-5)22-29(21-26)53-19-18-52-17-16-51-15-14-49-4/h6-13,20-24H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H51N7O8/c1-30(2)39-29-41(51(50-39)33-12-10-31(3)11-13-33)48-44(52)47-38-14-15-40(37-9-7-6-8-36(37)38)59-42-16-17-45-43(49-42)46-32-26-34(54-5)28-35(27-32)58-25-24-57-23-22-56-21-20-55-19-18-53-4/h6-17,26-30H,18-25H2,1-5H3,(H,45,46,49)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334376
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H45N7O6/c1-27-11-13-29(14-12-27)48-37(26-36(47-48)41(2,3)4)45-40(49)44-34-15-16-35(33-10-8-7-9-32(33)34)54-38-17-18-42-39(46-38)43-28-23-30(51-6)25-31(24-28)53-22-21-52-20-19-50-5/h7-18,23-26H,19-22H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334346
PNG
(1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...)
Show SMILES COCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H55N7O9/c1-32(2)41-31-43(53(52-41)35-12-10-33(3)11-13-35)50-46(54)49-40-14-15-42(39-9-7-6-8-38(39)40)62-44-16-17-47-45(51-44)48-34-28-36(56-5)30-37(29-34)61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-55-4/h6-17,28-32H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,54)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334353
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O7/c1-29-11-13-31(14-12-29)50-39(28-38(49-50)43(2,3)4)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)57-40-17-18-44-41(48-40)45-30-25-32(53-6)27-33(26-30)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334364
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCO)c1
Show InChI InChI=1S/C39H41N7O4S/c1-25-11-13-27(14-12-25)46-35(24-34(45-46)39(2,3)4)43-38(48)42-32-15-16-33(31-10-7-6-9-30(31)32)50-36-17-18-40-37(44-36)41-26-21-28(49-5)23-29(22-26)51-20-8-19-47/h6-7,9-18,21-24,47H,8,19-20H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334328
PNG
(3-((4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OS(C)(=O)=O)c1
Show InChI InChI=1S/C36H35N7O6S/c1-22(2)31-21-33(43(42-31)25-12-10-23(3)11-13-25)40-36(44)39-30-14-15-32(29-9-7-6-8-28(29)30)48-34-16-17-37-35(41-34)38-24-18-26(47-4)20-27(19-24)49-50(5,45)46/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334388
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1Cl
Show InChI InChI=1S/C43H48ClN7O7/c1-28-11-13-30(14-12-28)51-38(27-37(50-51)43(2,3)4)48-42(52)47-33-15-16-34(32-10-8-7-9-31(32)33)58-39-17-18-45-41(49-39)46-29-25-35(54-6)40(44)36(26-29)57-24-23-56-22-21-55-20-19-53-5/h7-18,25-27H,19-24H2,1-6H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334371
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C38H39N7O4S/c1-24-10-12-26(13-11-24)45-34(23-33(44-45)38(2,3)4)42-37(47)41-31-14-15-32(30-9-7-6-8-29(30)31)49-35-16-17-39-36(43-35)40-25-20-27(48-5)22-28(21-25)50-19-18-46/h6-17,20-23,46H,18-19H2,1-5H3,(H,39,40,43)(H2,41,42,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334372
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H50N6O7/c1-30-11-13-32(14-12-30)50-42(29-40(49-50)44(2,3)4)48-43(51)47-38-15-16-39(37-10-8-7-9-36(37)38)57-33-17-18-45-41(28-33)46-31-25-34(53-6)27-35(26-31)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-29H,19-24H2,1-6H3,(H,45,46)(H2,47,48,51)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334363
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C39H39N7O5S/c1-24-10-12-26(13-11-24)46-35(23-34(45-46)39(2,3)4)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)51-36-18-19-40-37(44-36)41-25-20-27(50-5)22-29(21-25)52(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334338
PNG
(1-(4-((2-((3-(2-Hydroxyethyl)thio)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C37H37N7O4S/c1-23(2)32-22-34(44(43-32)26-11-9-24(3)10-12-26)41-37(46)40-31-13-14-33(30-8-6-5-7-29(30)31)48-35-15-16-38-36(42-35)39-25-19-27(47-4)21-28(20-25)49-18-17-45/h5-16,19-23,45H,17-18H2,1-4H3,(H,38,39,42)(H2,40,41,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334386
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H39N7O6S/c1-39(2,3)34-23-35(46(45-34)25-10-12-26(50-4)13-11-25)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)52-36-18-19-40-37(44-36)41-24-20-27(51-5)22-29(21-24)53(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334327
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OS(C)(=O)=O)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H33N7O5S/c1-22(2)30-21-32(42(41-30)25-14-12-23(3)13-15-25)39-35(43)38-29-16-17-31(28-11-6-5-10-27(28)29)46-33-18-19-36-34(40-33)37-24-8-7-9-26(20-24)47-48(4,44)45/h5-22H,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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334358
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O4S/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)55-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)56-24-8-19-50-20-22-54-23-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334367
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C51H65N7O11/c1-37-11-13-39(14-12-37)58-47(36-46(57-58)51(2,3)4)55-50(59)54-44-15-16-45(43-10-8-7-9-42(43)44)69-48-17-18-52-49(56-48)53-38-33-40(61-6)35-41(34-38)68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-60-5/h7-18,33-36H,19-32H2,1-6H3,(H,52,53,56)(H2,54,55,59)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334339
PNG
(1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)-5-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C34H33Cl2N7O5S/c1-19(2)27-18-29(43(42-27)22-7-5-20(3)6-8-22)40-34(44)39-26-11-12-28(32(36)31(26)35)48-30-13-14-37-33(41-30)38-21-15-23(47-4)17-25(16-21)49(45,46)24-9-10-24/h5-8,11-19,24H,9-10H2,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334369
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C39H45Cl2N7O7/c1-25-7-9-27(10-8-25)48-33(24-32(47-48)39(2,3)4)45-38(49)44-30-11-12-31(36(41)35(30)40)55-34-13-14-42-37(46-34)43-26-21-28(51-6)23-29(22-26)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-24H,15-20H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334337
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H40Cl2N8O5/c1-23(2)30-22-32(47(45-30)26-7-5-24(3)6-8-26)43-37(48)42-29-9-10-31(35(39)34(29)38)52-33-11-12-40-36(44-33)41-25-19-27(49-4)21-28(20-25)51-18-15-46-13-16-50-17-14-46/h5-12,19-23H,13-18H2,1-4H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334386
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H39N7O6S/c1-39(2,3)34-23-35(46(45-34)25-10-12-26(50-4)13-11-25)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)52-36-18-19-40-37(44-36)41-24-20-27(51-5)22-29(21-24)53(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334329
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O7/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)56-40-16-17-43-41(47-40)44-30-24-32(52-5)26-33(25-30)55-23-22-54-21-20-53-19-18-51-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OS(C)(=O)=O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H34N8O6S/c1-35(2,3)29-20-30(43(42-29)23-13-16-31(47-4)37-21-23)40-34(44)39-27-14-15-28(26-12-7-6-11-25(26)27)48-32-17-18-36-33(41-32)38-22-9-8-10-24(19-22)49-50(5,45)46/h6-21H,1-5H3,(H,36,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334337
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H40Cl2N8O5/c1-23(2)30-22-32(47(45-30)26-7-5-24(3)6-8-26)43-37(48)42-29-9-10-31(35(39)34(29)38)52-33-11-12-40-36(44-33)41-25-19-27(49-4)21-28(20-25)51-18-15-46-13-16-50-17-14-46/h5-12,19-23H,13-18H2,1-4H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334377
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H38N8O6S/c1-38(2,3)32-21-33(46(45-32)24-10-15-34(51-5)40-22-24)43-37(47)42-30-13-14-31(29-9-7-6-8-28(29)30)52-35-16-17-39-36(44-35)41-23-18-25(50-4)20-27(19-23)53(48,49)26-11-12-26/h6-10,13-22,26H,11-12H2,1-5H3,(H,39,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334388
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1Cl
Show InChI InChI=1S/C43H48ClN7O7/c1-28-11-13-30(14-12-28)51-38(27-37(50-51)43(2,3)4)48-42(52)47-33-15-16-34(32-10-8-7-9-31(32)33)58-39-17-18-45-41(49-39)46-29-25-35(54-6)40(44)36(26-29)57-24-23-56-22-21-55-20-19-53-5/h7-18,25-27H,19-24H2,1-6H3,(H,45,46,49)(H2,47,48,52)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334317
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C#N)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H31N9O3/c1-35(2,3)29-19-30(44(43-29)24-12-15-31(46-4)38-21-24)41-34(45)40-27-13-14-28(26-11-6-5-10-25(26)27)47-32-16-17-37-33(42-32)39-23-9-7-8-22(18-23)20-36/h5-19,21H,1-4H3,(H,37,39,42)(H2,40,41,45)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)N=S(C)(C)=O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H37N9O4S/c1-36(2,3)30-21-31(45(43-30)25-14-17-32(48-4)38-22-25)41-35(46)40-28-15-16-29(27-13-8-7-12-26(27)28)49-33-18-19-37-34(42-33)39-23-10-9-11-24(20-23)44-50(5,6)47/h7-22H,1-6H3,(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334378
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(H,43,44,47)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334334
PNG
(1-(4-((2-((3-(Cyclopropylsulfonyl)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H37N7O5S/c1-23(2)33-22-35(45(44-33)26-11-9-24(3)10-12-26)42-38(46)41-32-15-16-34(31-8-6-5-7-30(31)32)50-36-17-18-39-37(43-36)40-25-19-27(49-4)21-29(20-25)51(47,48)28-13-14-28/h5-12,15-23,28H,13-14H2,1-4H3,(H,39,40,43)(H2,41,42,46)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334360
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O8/c1-43(2,3)38-28-39(50(49-38)30-11-13-31(53-5)14-12-30)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)58-40-17-18-44-41(48-40)45-29-25-32(54-6)27-33(26-29)57-24-23-56-22-21-55-20-19-52-4/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334338
PNG
(1-(4-((2-((3-(2-Hydroxyethyl)thio)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C37H37N7O4S/c1-23(2)32-22-34(44(43-32)26-11-9-24(3)10-12-26)41-37(46)40-31-13-14-33(30-8-6-5-7-29(30)31)48-35-15-16-38-36(42-35)39-25-19-27(47-4)21-28(20-25)49-18-17-45/h5-16,19-23,45H,17-18H2,1-4H3,(H,38,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334340
PNG
(1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)phe...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)S(=O)(=O)C4CC4)n3)c(Cl)c2Cl)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C33H31Cl2N7O4S/c1-19(2)26-18-28(42(41-26)22-9-7-20(3)8-10-22)39-33(43)38-25-13-14-27(31(35)30(25)34)46-29-15-16-36-32(40-29)37-21-5-4-6-24(17-21)47(44,45)23-11-12-23/h4-10,13-19,23H,11-12H2,1-3H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334363
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C39H39N7O5S/c1-24-10-12-26(13-11-24)46-35(23-34(45-46)39(2,3)4)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)51-36-18-19-40-37(44-36)41-25-20-27(50-5)22-29(21-25)52(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334377
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H38N8O6S/c1-38(2,3)32-21-33(46(45-32)24-10-15-34(51-5)40-22-24)43-37(47)42-30-13-14-31(29-9-7-6-8-28(29)30)52-35-16-17-39-36(44-35)41-23-18-25(50-4)20-27(19-23)53(48,49)26-11-12-26/h6-10,13-22,26H,11-12H2,1-5H3,(H,39,41,44)(H2,42,43,47)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334323
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)S(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H36N8O4S/c1-37(2,3)31-21-32(45(44-31)24-12-17-33(48-4)39-22-24)42-36(46)41-29-15-16-30(28-11-6-5-10-27(28)29)49-34-18-19-38-35(43-34)40-23-8-7-9-26(20-23)50(47)25-13-14-25/h5-12,15-22,25H,13-14H2,1-4H3,(H,38,40,43)(H2,41,42,46)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334354
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H48N8O8/c1-42(2,3)36-26-37(50(49-36)29-11-14-38(54-6)44-27-29)47-41(51)46-34-12-13-35(33-10-8-7-9-32(33)34)58-39-15-16-43-40(48-39)45-28-23-30(53-5)25-31(24-28)57-22-21-56-20-19-55-18-17-52-4/h7-16,23-27H,17-22H2,1-6H3,(H,43,45,48)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334338
PNG
(1-(4-((2-((3-(2-Hydroxyethyl)thio)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C37H37N7O4S/c1-23(2)32-22-34(44(43-32)26-11-9-24(3)10-12-26)41-37(46)40-31-13-14-33(30-8-6-5-7-29(30)31)48-35-15-16-38-36(42-35)39-25-19-27(47-4)21-28(20-25)49-18-17-45/h5-16,19-23,45H,17-18H2,1-4H3,(H,38,39,42)(H2,40,41,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334326
PNG
(1-(4-((2-((3-Ethynylphenyl)amino)pyrimidin-4-yl)ox...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)C#C)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C36H31N7O2/c1-5-25-9-8-10-26(21-25)38-35-37-20-19-34(41-35)45-32-18-17-30(28-11-6-7-12-29(28)32)39-36(44)40-33-22-31(23(2)3)42-43(33)27-15-13-24(4)14-16-27/h1,6-23H,2-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334372
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H50N6O7/c1-30-11-13-32(14-12-30)50-42(29-40(49-50)44(2,3)4)48-43(51)47-38-15-16-39(37-10-8-7-9-36(37)38)57-33-17-18-45-41(28-33)46-31-25-34(53-6)27-35(26-31)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-29H,19-24H2,1-6H3,(H,45,46)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334361
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O5/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)55-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)54-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(H,43,44,47)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334353
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O7/c1-29-11-13-31(14-12-29)50-39(28-38(49-50)43(2,3)4)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)57-40-17-18-44-41(48-40)45-30-25-32(53-6)27-33(26-30)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C41H45N7O6/c1-28(2)36-27-38(48(47-36)31-14-12-29(3)13-15-31)45-41(49)44-35-16-17-37(34-11-6-5-10-33(34)35)54-39-18-19-42-40(46-39)43-30-8-7-9-32(26-30)53-25-24-52-23-22-51-21-20-50-4/h5-19,26-28H,20-25H2,1-4H3,(H,42,43,46)(H2,44,45,49)
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US Patent


Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334363
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C39H39N7O5S/c1-24-10-12-26(13-11-24)46-35(23-34(45-46)39(2,3)4)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)51-36-18-19-40-37(44-36)41-25-20-27(50-5)22-29(21-25)52(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334385
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)n1
Show InChI InChI=1S/C42H48N8O7/c1-28-11-13-30(14-12-28)50-36(27-35(49-50)42(2,3)4)46-41(51)45-33-15-16-34(32-10-8-7-9-31(32)33)57-37-17-18-43-40(48-37)44-29-25-38(53-6)47-39(26-29)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-27H,19-24H2,1-6H3,(H2,45,46,51)(H,43,44,47,48)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334362
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H37N7O4S/c1-24-12-14-26(15-13-24)45-34(23-33(44-45)38(2,3)4)42-37(46)41-31-18-19-32(30-11-6-5-10-29(30)31)49-35-20-21-39-36(43-35)40-25-8-7-9-28(22-25)50(47,48)27-16-17-27/h5-15,18-23,27H,16-17H2,1-4H3,(H,39,40,43)(H2,41,42,46)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334365
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O5/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-22-8-19-50-20-23-54-24-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334379
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylamino)phenyl)-1H-p...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)N(C)C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O7/c1-44(2,3)39-29-40(52(50-39)32-14-12-31(13-15-32)51(4)5)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)59-41-18-19-45-42(49-41)46-30-26-33(55-7)28-34(27-30)58-25-24-57-23-22-56-21-20-54-6/h8-19,26-29H,20-25H2,1-7H3,(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 p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334364
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCO)c1
Show InChI InChI=1S/C39H41N7O4S/c1-25-11-13-27(14-12-25)46-35(24-34(45-46)39(2,3)4)43-38(48)42-32-15-16-33(31-10-7-6-9-30(31)32)50-36-17-18-40-37(44-36)41-26-21-28(49-5)23-29(22-26)51-20-8-19-47/h6-7,9-18,21-24,47H,8,19-20H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334371
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C38H39N7O4S/c1-24-10-12-26(13-11-24)45-34(23-33(44-45)38(2,3)4)42-37(47)41-31-14-15-32(30-9-7-6-8-29(30)31)49-35-16-17-39-36(43-35)40-25-20-27(48-5)22-28(21-25)50-19-18-46/h6-17,20-23,46H,18-19H2,1-5H3,(H,39,40,43)(H2,41,42,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334357
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O4S/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)54-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(H,43,44,47)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334328
PNG
(3-((4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OS(C)(=O)=O)c1
Show InChI InChI=1S/C36H35N7O6S/c1-22(2)31-21-33(43(42-31)25-12-10-23(3)11-13-25)40-36(44)39-30-14-15-32(29-9-7-6-8-28(29)30)48-34-16-17-37-35(41-34)38-24-18-26(47-4)20-27(19-24)49-50(5,45)46/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334324
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H36N8O5S/c1-37(2,3)31-21-32(45(44-31)24-12-17-33(49-4)39-22-24)42-36(46)41-29-15-16-30(28-11-6-5-10-27(28)29)50-34-18-19-38-35(43-34)40-23-8-7-9-26(20-23)51(47,48)25-13-14-25/h5-12,15-22,25H,13-14H2,1-4H3,(H,38,40,43)(H2,41,42,46)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334333
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H44N8O5/c1-27(2)36-26-38(49(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)54-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)53-22-19-48-17-20-52-21-18-48/h5-16,23-27H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334339
PNG
(1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)-5-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C34H33Cl2N7O5S/c1-19(2)27-18-29(43(42-27)22-7-5-20(3)6-8-22)40-34(44)39-26-11-12-28(32(36)31(26)35)48-30-13-14-37-33(41-30)38-21-15-23(47-4)17-25(16-21)49(45,46)24-9-10-24/h5-8,11-19,24H,9-10H2,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334358
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O4S/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)55-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)56-24-8-19-50-20-22-54-23-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(H,44,45,48)(H2,46,47,52)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334386
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H39N7O6S/c1-39(2,3)34-23-35(46(45-34)25-10-12-26(50-4)13-11-25)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)52-36-18-19-40-37(44-36)41-24-20-27(51-5)22-29(21-24)53(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334377
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H38N8O6S/c1-38(2,3)32-21-33(46(45-32)24-10-15-34(51-5)40-22-24)43-37(47)42-30-13-14-31(29-9-7-6-8-28(29)30)52-35-16-17-39-36(44-35)41-23-18-25(50-4)20-27(19-23)53(48,49)26-11-12-26/h6-10,13-22,26H,11-12H2,1-5H3,(H,39,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334321
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OC(N)=O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N9O5/c1-35(2,3)28-19-29(44(43-28)22-12-15-30(47-4)38-20-22)41-34(46)40-26-13-14-27(25-11-6-5-10-24(25)26)49-31-16-17-37-33(42-31)39-21-8-7-9-23(18-21)48-32(36)45/h5-20H,1-4H3,(H2,36,45)(H,37,39,42)(H2,40,41,46)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334317
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C#N)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H31N9O3/c1-35(2,3)29-19-30(44(43-29)24-12-15-31(46-4)38-21-24)41-34(45)40-27-13-14-28(26-11-6-5-10-25(26)27)47-32-16-17-37-33(42-32)39-23-9-7-8-22(18-23)20-36/h5-19,21H,1-4H3,(H,37,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334337
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H40Cl2N8O5/c1-23(2)30-22-32(47(45-30)26-7-5-24(3)6-8-26)43-37(48)42-29-9-10-31(35(39)34(29)38)52-33-11-12-40-36(44-33)41-25-19-27(49-4)21-28(20-25)51-18-15-46-13-16-50-17-14-46/h5-12,19-23H,13-18H2,1-4H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334334
PNG
(1-(4-((2-((3-(Cyclopropylsulfonyl)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H37N7O5S/c1-23(2)33-22-35(45(44-33)26-11-9-24(3)10-12-26)42-38(46)41-32-15-16-34(31-8-6-5-7-30(31)32)50-36-17-18-39-37(43-36)40-25-19-27(49-4)21-29(20-25)51(47,48)28-13-14-28/h5-12,15-23,28H,13-14H2,1-4H3,(H,39,40,43)(H2,41,42,46)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334388
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1Cl
Show InChI InChI=1S/C43H48ClN7O7/c1-28-11-13-30(14-12-28)51-38(27-37(50-51)43(2,3)4)48-42(52)47-33-15-16-34(32-10-8-7-9-31(32)33)58-39-17-18-45-41(49-39)46-29-25-35(54-6)40(44)36(26-29)57-24-23-56-22-21-55-20-19-53-5/h7-18,25-27H,19-24H2,1-6H3,(H,45,46,49)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334333
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H44N8O5/c1-27(2)36-26-38(49(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)54-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)53-22-19-48-17-20-52-21-18-48/h5-16,23-27H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334330
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)N=S(C)(C)=O)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C36H36N8O3S/c1-23(2)31-22-33(44(42-31)27-15-13-24(3)14-16-27)40-36(45)39-30-17-18-32(29-12-7-6-11-28(29)30)47-34-19-20-37-35(41-34)38-25-9-8-10-26(21-25)43-48(4,5)46/h6-23H,1-5H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334328
PNG
(3-((4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OS(C)(=O)=O)c1
Show InChI InChI=1S/C36H35N7O6S/c1-22(2)31-21-33(43(42-31)25-12-10-23(3)11-13-25)40-36(44)39-30-14-15-32(29-9-7-6-8-28(29)30)48-34-16-17-37-35(41-34)38-24-18-26(47-4)20-27(19-24)49-50(5,45)46/h6-22H,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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334342
PNG
(S,S-Dimethyl-N-(3-(4-(2,3-dichloro-4-(3-(3-isoprop...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(c1)N=S(C)(C)=O
Show InChI InChI=1S/C33H34Cl2N8O4S/c1-19(2)26-18-28(43(41-26)23-9-7-20(3)8-10-23)39-33(44)38-25-11-12-27(31(35)30(25)34)47-29-13-14-36-32(40-29)37-21-15-22(42-48(5,6)45)17-24(16-21)46-4/h7-19H,1-6H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334355
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(F)(F)C(F)(F)F)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H40F5N7O7/c1-26-8-10-28(11-9-26)53-36(25-35(52-53)40(42,43)41(44,45)46)50-39(54)49-33-12-13-34(32-7-5-4-6-31(32)33)60-37-14-15-47-38(51-37)48-27-22-29(56-3)24-30(23-27)59-21-20-58-19-18-57-17-16-55-2/h4-15,22-25H,16-21H2,1-3H3,(H,47,48,51)(H2,49,50,54)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334351
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-(2-(2-metho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24(2)31-23-33(47(46-31)27-8-6-25(3)7-9-27)44-38(48)43-30-10-11-32(36(40)35(30)39)54-34-12-13-41-37(45-34)42-26-20-28(50-5)22-29(21-26)53-19-18-52-17-16-51-15-14-49-4/h6-13,20-24H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,48)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334322
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(SCCO)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H36N8O4S/c1-36(2,3)30-21-31(44(43-30)24-12-15-32(47-4)38-22-24)41-35(46)40-28-13-14-29(27-11-6-5-10-26(27)28)48-33-16-17-37-34(42-33)39-23-8-7-9-25(20-23)49-19-18-45/h5-17,20-22,45H,18-19H2,1-4H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334359
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C43H48N8O6S/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)57-40-17-18-44-41(48-40)45-30-25-32(55-5)27-33(26-30)58(53,54)24-8-19-50-20-22-56-23-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334333
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H44N8O5/c1-27(2)36-26-38(49(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)54-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)53-22-19-48-17-20-52-21-18-48/h5-16,23-27H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334352
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCS(=O)(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O8S/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)57-40-16-17-43-41(47-40)44-30-24-32(54-5)26-33(25-30)58(51,52)23-22-56-21-20-55-19-18-53-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334327
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OS(C)(=O)=O)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H33N7O5S/c1-22(2)30-21-32(42(41-30)25-14-12-23(3)13-15-25)39-35(43)38-29-16-17-31(28-11-6-5-10-27(28)29)46-33-18-19-36-34(40-33)37-24-8-7-9-26(20-24)47-48(4,44)45/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334387
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24-6-8-26(9-7-24)47-32(23-31(46-47)38(2,3)4)44-37(49)43-29-10-11-30(35(40)34(29)39)54-33-12-13-41-36(45-33)42-25-20-27(50-5)22-28(21-25)53-19-18-52-17-16-51-15-14-48/h6-13,20-23,48H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,49)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334341
PNG
(1-(2,3-Difluoro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(F)c3F)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H40F2N8O5/c1-23(2)30-22-32(47(45-30)26-7-5-24(3)6-8-26)43-37(48)42-29-9-10-31(35(39)34(29)38)52-33-11-12-40-36(44-33)41-25-19-27(49-4)21-28(20-25)51-18-15-46-13-16-50-17-14-46/h5-12,19-23H,13-18H2,1-4H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334326
PNG
(1-(4-((2-((3-Ethynylphenyl)amino)pyrimidin-4-yl)ox...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)C#C)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C36H31N7O2/c1-5-25-9-8-10-26(21-25)38-35-37-20-19-34(41-35)45-32-18-17-30(28-11-6-7-12-29(28)32)39-36(44)40-33-22-31(23(2)3)42-43(33)27-15-13-24(4)14-16-27/h1,6-23H,2-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334369
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C39H45Cl2N7O7/c1-25-7-9-27(10-8-25)48-33(24-32(47-48)39(2,3)4)45-38(49)44-30-11-12-31(36(41)35(30)40)55-34-13-14-42-37(46-34)43-26-21-28(51-6)23-29(22-26)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-24H,15-20H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334332
PNG
(3-(5-Methoxy((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)N=S(C)(C)=O
Show InChI InChI=1S/C37H38N8O4S/c1-23(2)32-22-34(45(43-32)27-13-11-24(3)12-14-27)41-37(46)40-31-15-16-33(30-10-8-7-9-29(30)31)49-35-17-18-38-36(42-35)39-25-19-26(44-50(5,6)47)21-28(20-25)48-4/h7-23H,1-6H3,(H,38,39,42)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334320
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C41H46N8O7/c1-41(2,3)35-26-36(49(48-35)29-13-16-37(52-5)43-27-29)46-40(50)45-33-14-15-34(32-12-7-6-11-31(32)33)56-38-17-18-42-39(47-38)44-28-9-8-10-30(25-28)55-24-23-54-22-21-53-20-19-51-4/h6-18,25-27H,19-24H2,1-5H3,(H,42,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C41H45N7O6/c1-28(2)36-27-38(48(47-36)31-14-12-29(3)13-15-31)45-41(49)44-35-16-17-37(34-11-6-5-10-33(34)35)54-39-18-19-42-40(46-39)43-30-8-7-9-32(26-30)53-25-24-52-23-22-51-21-20-50-4/h5-19,26-28H,20-25H2,1-4H3,(H,42,43,46)(H2,44,45,49)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334378
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C42H47N7O7/c1-28-10-12-30(13-11-28)49-38(27-37(48-49)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-22-54-21-20-53-19-18-50/h6-17,24-27,50H,18-23H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334335
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OCCOCCOCCO)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C40H43N7O6/c1-27(2)35-26-37(47(46-35)30-13-11-28(3)12-14-30)44-40(49)43-34-15-16-36(33-10-5-4-9-32(33)34)53-38-17-18-41-39(45-38)42-29-7-6-8-31(25-29)52-24-23-51-22-21-50-20-19-48/h4-18,25-27,48H,19-24H2,1-3H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334371
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C38H39N7O4S/c1-24-10-12-26(13-11-24)45-34(23-33(44-45)38(2,3)4)42-37(47)41-31-14-15-32(30-9-7-6-8-29(30)31)49-35-16-17-39-36(43-35)40-25-20-27(48-5)22-28(21-25)50-19-18-46/h6-17,20-23,46H,18-19H2,1-5H3,(H,39,40,43)(H2,41,42,47)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334367
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C51H65N7O11/c1-37-11-13-39(14-12-37)58-47(36-46(57-58)51(2,3)4)55-50(59)54-44-15-16-45(43-10-8-7-9-42(43)44)69-48-17-18-52-49(56-48)53-38-33-40(61-6)35-41(34-38)68-32-31-67-30-29-66-28-27-65-26-25-64-24-23-63-22-21-62-20-19-60-5/h7-18,33-36H,19-32H2,1-6H3,(H,52,53,56)(H2,54,55,59)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334384
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C35H35Cl2N7O5S/c1-20-6-8-22(9-7-20)44-29(19-28(43-44)35(2,3)4)41-34(45)40-26-12-13-27(32(37)31(26)36)49-30-14-15-38-33(42-30)39-21-16-23(48-5)18-25(17-21)50(46,47)24-10-11-24/h6-9,12-19,24H,10-11H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334339
PNG
(1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)-5-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C34H33Cl2N7O5S/c1-19(2)27-18-29(43(42-27)22-7-5-20(3)6-8-22)40-34(44)39-26-11-12-28(32(36)31(26)35)48-30-13-14-37-33(41-30)38-21-15-23(47-4)17-25(16-21)49(45,46)24-9-10-24/h5-8,11-19,24H,9-10H2,1-4H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334361
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O5/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)55-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)54-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM334331
PNG
(1-(4-((2-((3-Ethynyl-5-methoxyphenyl)amino)pyrimid...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C37H33N7O3/c1-6-25-19-26(21-28(20-25)46-5)39-36-38-18-17-35(42-36)47-33-16-15-31(29-9-7-8-10-30(29)33)40-37(45)41-34-22-32(23(2)3)43-44(34)27-13-11-24(4)12-14-27/h1,7-23H,2-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM334331
PNG
(1-(4-((2-((3-Ethynyl-5-methoxyphenyl)amino)pyrimid...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C37H33N7O3/c1-6-25-19-26(21-28(20-25)46-5)39-36-38-18-17-35(42-36)47-33-16-15-31(29-9-7-8-10-30(29)33)40-37(45)41-34-22-32(23(2)3)43-44(34)27-13-11-24(4)12-14-27/h1,7-23H,2-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)N=S(C)(C)=O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H37N9O4S/c1-36(2,3)30-21-31(45(43-30)25-14-17-32(48-4)38-22-25)41-35(46)40-28-15-16-29(27-13-8-7-12-26(27)28)49-33-18-19-37-34(42-33)39-23-10-9-11-24(20-23)44-50(5,6)47/h7-22H,1-6H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334358
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O4S/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)55-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)56-24-8-19-50-20-22-54-23-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334373
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN(C)C)c1
Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)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(54-7)28-34(27-31)57-25-24-56-23-22-55-21-20-51(5)6/h8-19,26-29H,20-25H2,1-7H3,(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 the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334364
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCCO)c1
Show InChI InChI=1S/C39H41N7O4S/c1-25-11-13-27(14-12-25)46-35(24-34(45-46)39(2,3)4)43-38(48)42-32-15-16-33(31-10-7-6-9-30(31)32)50-36-17-18-40-37(44-36)41-26-21-28(49-5)23-29(22-26)51-20-8-19-47/h6-7,9-18,21-24,47H,8,19-20H2,1-5H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(OS(C)(=O)=O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H34N8O6S/c1-35(2,3)29-20-30(43(42-29)23-13-16-31(47-4)37-21-23)40-34(44)39-27-14-15-28(26-12-7-6-11-25(26)27)48-32-17-18-36-33(41-32)38-22-9-8-10-24(19-22)49-50(5,45)46/h6-21H,1-5H3,(H,36,38,41)(H2,39,40,44)
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US Patent


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

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334333
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H44N8O5/c1-27(2)36-26-38(49(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)54-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)53-22-19-48-17-20-52-21-18-48/h5-16,23-27H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334357
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(SCCN2CCOCC2)c1
Show InChI InChI=1S/C42H46N8O4S/c1-28-10-12-30(13-11-28)50-38(27-37(48-50)42(2,3)4)46-41(51)45-35-14-15-36(34-9-7-6-8-33(34)35)54-39-16-17-43-40(47-39)44-29-24-31(52-5)26-32(25-29)55-23-20-49-18-21-53-22-19-49/h6-17,24-27H,18-23H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334334
PNG
(1-(4-((2-((3-(Cyclopropylsulfonyl)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H37N7O5S/c1-23(2)33-22-35(45(44-33)26-11-9-24(3)10-12-26)42-38(46)41-32-15-16-34(31-8-6-5-7-30(31)32)50-36-17-18-39-37(43-36)40-25-19-27(49-4)21-29(20-25)51(47,48)28-13-14-28/h5-12,15-23,28H,13-14H2,1-4H3,(H,39,40,43)(H2,41,42,46)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334366
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(F)cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C42H46FN7O6/c1-28-10-12-31(13-11-28)50-38(27-37(49-50)42(2,3)4)47-41(51)46-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-44-40(48-39)45-30-24-29(43)25-32(26-30)55-23-22-54-21-20-53-19-18-52-5/h6-17,24-27H,18-23H2,1-5H3,(H,44,45,48)(H2,46,47,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334386
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)S(=O)(=O)C3CC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H39N7O6S/c1-39(2,3)34-23-35(46(45-34)25-10-12-26(50-4)13-11-25)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)52-36-18-19-40-37(44-36)41-24-20-27(51-5)22-29(21-24)53(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334382
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)N(C)C
Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)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(51(5)6)28-34(27-31)57-25-24-56-23-22-55-21-20-54-7/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C41H45N7O6/c1-28(2)36-27-38(48(47-36)31-14-12-29(3)13-15-31)45-41(49)44-35-16-17-37(34-11-6-5-10-33(34)35)54-39-18-19-42-40(46-39)43-30-8-7-9-32(26-30)53-25-24-52-23-22-51-21-20-50-4/h5-19,26-28H,20-25H2,1-4H3,(H,42,43,46)(H2,44,45,49)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334377
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C38H38N8O6S/c1-38(2,3)32-21-33(46(45-32)24-10-15-34(51-5)40-22-24)43-37(47)42-30-13-14-31(29-9-7-6-8-28(29)30)52-35-16-17-39-36(44-35)41-23-18-25(50-4)20-27(19-23)53(48,49)26-11-12-26/h6-10,13-22,26H,11-12H2,1-5H3,(H,39,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C41H45N7O7/c1-27(2)36-26-38(48(47-36)30-11-9-28(3)10-12-30)45-41(50)44-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-42-40(46-39)43-29-23-31(51-4)25-32(24-29)54-22-21-53-20-19-52-18-17-49/h5-16,23-27,49H,17-22H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334360
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O8/c1-43(2,3)38-28-39(50(49-38)30-11-13-31(53-5)14-12-30)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)58-40-17-18-44-41(48-40)45-29-25-32(54-6)27-33(26-29)57-24-23-56-22-21-55-20-19-52-4/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334379
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylamino)phenyl)-1H-p...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)N(C)C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O7/c1-44(2,3)39-29-40(52(50-39)32-14-12-31(13-15-32)51(4)5)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)59-41-18-19-45-42(49-41)46-30-26-33(55-7)28-34(27-30)58-25-24-57-23-22-56-21-20-54-6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334338
PNG
(1-(4-((2-((3-(2-Hydroxyethyl)thio)-5-methoxyphenyl...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(SCCO)c1
Show InChI InChI=1S/C37H37N7O4S/c1-23(2)32-22-34(44(43-32)26-11-9-24(3)10-12-26)41-37(46)40-31-13-14-33(30-8-6-5-7-29(30)31)48-35-15-16-38-36(42-35)39-25-19-27(47-4)21-28(20-25)49-18-17-45/h5-16,19-23,45H,17-18H2,1-4H3,(H,38,39,42)(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334383
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCN(C)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O6/c1-30-12-14-32(15-13-30)52-40(29-39(50-52)44(2,3)4)48-43(53)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(28-34(27-31)55-7)51(5)20-21-56-24-25-57-23-22-54-6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334354
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H48N8O8/c1-42(2,3)36-26-37(50(49-36)29-11-14-38(54-6)44-27-29)47-41(51)46-34-12-13-35(33-10-8-7-9-32(33)34)58-39-15-16-43-40(48-39)45-28-23-30(53-5)25-31(24-28)57-22-21-56-20-19-55-18-17-52-4/h7-16,23-27H,17-22H2,1-6H3,(H,43,45,48)(H2,46,47,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334353
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H49N7O7/c1-29-11-13-31(14-12-29)50-39(28-38(49-50)43(2,3)4)47-42(51)46-36-15-16-37(35-10-8-7-9-34(35)36)57-40-17-18-44-41(48-40)45-30-25-32(53-6)27-33(26-30)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-28H,19-24H2,1-6H3,(H,44,45,48)(H2,46,47,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334363
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C39H39N7O5S/c1-24-10-12-26(13-11-24)46-35(23-34(45-46)39(2,3)4)43-38(47)42-32-16-17-33(31-9-7-6-8-30(31)32)51-36-18-19-40-37(44-36)41-25-20-27(50-5)22-29(21-25)52(48,49)28-14-15-28/h6-13,16-23,28H,14-15H2,1-5H3,(H,40,41,44)(H2,42,43,47)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334346
PNG
(1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...)
Show SMILES COCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C46H55N7O9/c1-32(2)41-31-43(53(52-41)35-12-10-33(3)11-13-35)50-46(54)49-40-14-15-42(39-9-7-6-8-38(39)40)62-44-16-17-47-45(51-44)48-34-28-36(56-5)30-37(29-34)61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-55-4/h6-17,28-32H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,54)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334365
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C43H48N8O5/c1-29-11-13-31(14-12-29)51-39(28-38(49-51)43(2,3)4)47-42(52)46-36-15-16-37(35-10-7-6-9-34(35)36)56-40-17-18-44-41(48-40)45-30-25-32(53-5)27-33(26-30)55-22-8-19-50-20-23-54-24-21-50/h6-7,9-18,25-28H,8,19-24H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334375
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C38H42Cl2N8O5/c1-24-6-8-26(9-7-24)48-32(23-31(46-48)38(2,3)4)44-37(49)43-29-10-11-30(35(40)34(29)39)53-33-12-13-41-36(45-33)42-25-20-27(50-5)22-28(21-25)52-19-16-47-14-17-51-18-15-47/h6-13,20-23H,14-19H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334387
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCOCCOCCO)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24-6-8-26(9-7-24)47-32(23-31(46-47)38(2,3)4)44-37(49)43-29-10-11-30(35(40)34(29)39)54-33-12-13-41-36(45-33)42-25-20-27(50-5)22-28(21-25)53-19-18-52-17-16-51-15-14-48/h6-13,20-23,48H,14-19H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334356
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C(F)(F)F)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H46F3N7O7/c1-28-10-12-30(13-11-28)53-38(27-37(52-53)42(2,3)43(44,45)46)50-41(54)49-35-14-15-36(34-9-7-6-8-33(34)35)60-39-16-17-47-40(51-39)48-29-24-31(56-5)26-32(25-29)59-23-22-58-21-20-57-19-18-55-4/h6-17,24-27H,18-23H2,1-5H3,(H,47,48,51)(H2,49,50,54)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334327
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OS(C)(=O)=O)c4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C35H33N7O5S/c1-22(2)30-21-32(42(41-30)25-14-12-23(3)13-15-25)39-35(43)38-29-16-17-31(28-11-6-5-10-27(28)29)46-33-18-19-36-34(40-33)37-24-8-7-9-26(20-24)47-48(4,44)45/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334329
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O7/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)56-40-16-17-43-41(47-40)44-30-24-32(52-5)26-33(25-30)55-23-22-54-21-20-53-19-18-51-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334355
PNG
(1-(4-((2-((3-Methoxy-5-(2-(2-(2-methoxyethoxyl)eth...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(F)(F)C(F)(F)F)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H40F5N7O7/c1-26-8-10-28(11-9-26)53-36(25-35(52-53)40(42,43)41(44,45)46)50-39(54)49-33-12-13-34(32-7-5-4-6-31(32)33)60-37-14-15-47-38(51-37)48-27-22-29(56-3)24-30(23-27)59-21-20-58-19-18-57-17-16-55-2/h4-15,22-25H,16-21H2,1-3H3,(H,47,48,51)(H2,49,50,54)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334347
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCSc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H47N7O6S/c1-28(2)37-27-39(49(48-37)31-12-10-29(3)11-13-31)46-42(50)45-36-14-15-38(35-9-7-6-8-34(35)36)55-40-16-17-43-41(47-40)44-30-24-32(52-5)26-33(25-30)56-23-22-54-21-20-53-19-18-51-4/h6-17,24-28H,18-23H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334331
PNG
(1-(4-((2-((3-Ethynyl-5-methoxyphenyl)amino)pyrimid...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C37H33N7O3/c1-6-25-19-26(21-28(20-25)46-5)39-36-38-18-17-35(42-36)47-33-16-15-31(29-9-7-8-10-30(29)33)40-37(45)41-34-22-32(23(2)3)43-44(34)27-13-11-24(4)12-14-27/h1,7-23H,2-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334372
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H50N6O7/c1-30-11-13-32(14-12-30)50-42(29-40(49-50)44(2,3)4)48-43(51)47-38-15-16-39(37-10-8-7-9-36(37)38)57-33-17-18-45-41(28-33)46-31-25-34(53-6)27-35(26-31)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-29H,19-24H2,1-6H3,(H,45,46)(H2,47,48,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334337
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-morpholinoe...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C37H40Cl2N8O5/c1-23(2)30-22-32(47(45-30)26-7-5-24(3)6-8-26)43-37(48)42-29-9-10-31(35(39)34(29)38)52-33-11-12-40-36(44-33)41-25-19-27(49-4)21-28(20-25)51-18-15-46-13-16-50-17-14-46/h5-12,19-23H,13-18H2,1-4H3,(H,40,41,44)(H2,42,43,48)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334385
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)n1
Show InChI InChI=1S/C42H48N8O7/c1-28-11-13-30(14-12-28)50-36(27-35(49-50)42(2,3)4)46-41(51)45-33-15-16-34(32-10-8-7-9-31(32)33)57-37-17-18-43-40(48-37)44-29-25-38(53-6)47-39(26-29)56-24-23-55-22-21-54-20-19-52-5/h7-18,25-27H,19-24H2,1-6H3,(H2,45,46,51)(H,43,44,47,48)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334380
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Cl)cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C42H46ClN7O6/c1-28-10-12-31(13-11-28)50-38(27-37(49-50)42(2,3)4)47-41(51)46-35-14-15-36(34-9-7-6-8-33(34)35)56-39-16-17-44-40(48-39)45-30-24-29(43)25-32(26-30)55-23-22-54-21-20-53-19-18-52-5/h6-17,24-27H,18-23H2,1-5H3,(H,44,45,48)(H2,46,47,51)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334369
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C39H45Cl2N7O7/c1-25-7-9-27(10-8-25)48-33(24-32(47-48)39(2,3)4)45-38(49)44-30-11-12-31(36(41)35(30)40)55-34-13-14-42-37(46-34)43-26-21-28(51-6)23-29(22-26)54-20-19-53-18-17-52-16-15-50-5/h7-14,21-24H,15-20H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334370
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C44H47N7O6/c1-7-31-26-32(28-34(27-31)56-25-24-55-23-22-54-21-20-53-6)46-42-45-19-18-41(49-42)57-38-17-16-37(35-10-8-9-11-36(35)38)47-43(52)48-40-29-39(44(3,4)5)50-51(40)33-14-12-30(2)13-15-33/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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334343
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(5-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ncccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H46N8O7/c1-27(2)35-26-37(49(48-35)30-10-8-28(3)9-11-30)46-41(50)45-34-12-13-36(33-7-6-15-42-39(33)34)56-38-14-16-43-40(47-38)44-29-23-31(52-5)25-32(24-29)55-22-21-54-20-19-53-18-17-51-4/h6-16,23-27H,17-22H2,1-5H3,(H,43,44,47)(H2,45,46,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334376
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H45N7O6/c1-27-11-13-29(14-12-27)48-37(26-36(47-48)41(2,3)4)45-40(49)44-34-15-16-35(33-10-8-7-9-32(33)34)54-38-17-18-42-39(46-38)43-28-23-30(51-6)25-31(24-28)53-22-21-52-20-19-50-5/h7-18,23-26H,19-22H2,1-6H3,(H,42,43,46)(H2,44,45,49)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334384
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C35H35Cl2N7O5S/c1-20-6-8-22(9-7-20)44-29(19-28(43-44)35(2,3)4)41-34(45)40-26-12-13-27(32(37)31(26)36)49-30-14-15-38-33(42-30)39-21-16-23(48-5)18-25(17-21)50(46,47)24-10-11-24/h6-9,12-19,24H,10-11H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334388
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OC)c1Cl
Show InChI InChI=1S/C43H48ClN7O7/c1-28-11-13-30(14-12-28)51-38(27-37(50-51)43(2,3)4)48-42(52)47-33-15-16-34(32-10-8-7-9-31(32)33)58-39-17-18-45-41(49-39)46-29-25-35(54-6)40(44)36(26-29)57-24-23-56-22-21-55-20-19-53-5/h7-18,25-27H,19-24H2,1-6H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334328
PNG
(3-((4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OS(C)(=O)=O)c1
Show InChI InChI=1S/C36H35N7O6S/c1-22(2)31-21-33(43(42-31)25-12-10-23(3)11-13-25)40-36(44)39-30-14-15-32(29-9-7-6-8-28(29)30)48-34-16-17-37-35(41-34)38-24-18-26(47-4)20-27(19-24)49-50(5,45)46/h6-22H,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 the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334317
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C#N)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H31N9O3/c1-35(2,3)29-19-30(44(43-29)24-12-15-31(46-4)38-21-24)41-34(45)40-27-13-14-28(26-11-6-5-10-25(26)27)47-32-16-17-37-33(42-32)39-23-9-7-8-22(18-23)20-36/h5-19,21H,1-4H3,(H,37,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334381
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c(Cl)c3Cl)n2)cc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C39H44Cl2N8O5/c1-25-7-9-27(10-8-25)49-33(24-32(47-49)39(2,3)4)45-38(50)44-30-11-12-31(36(41)35(30)40)54-34-13-14-42-37(46-34)43-26-21-28(51-5)23-29(22-26)53-18-6-15-48-16-19-52-20-17-48/h7-14,21-24H,6,15-20H2,1-5H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334344
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(5-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ncccc34)n2)cc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C40H43N9O5/c1-26(2)34-25-36(49(47-34)29-9-7-27(3)8-10-29)45-40(50)44-33-11-12-35(32-6-5-14-41-38(32)33)54-37-13-15-42-39(46-37)43-28-22-30(51-4)24-31(23-28)53-21-18-48-16-19-52-20-17-48/h5-15,22-26H,16-21H2,1-4H3,(H,42,43,46)(H2,44,45,50)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334351
PNG
(1-(2,3-Dichloro-4-((2-((3-methoxy-5-(2-(2-(2-metho...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c(Cl)c3Cl)n2)cc(OC)c1
Show InChI InChI=1S/C38H43Cl2N7O7/c1-24(2)31-23-33(47(46-31)27-8-6-25(3)7-9-27)44-38(48)43-30-10-11-32(36(40)35(30)39)54-34-12-13-41-37(45-34)42-26-20-28(50-5)22-29(21-26)53-19-18-52-17-16-51-15-14-49-4/h6-13,20-24H,14-19H2,1-5H3,(H,41,42,45)(H2,43,44,48)
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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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334326
PNG
(1-(4-((2-((3-Ethynylphenyl)amino)pyrimidin-4-yl)ox...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)C#C)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C36H31N7O2/c1-5-25-9-8-10-26(21-25)38-35-37-20-19-34(41-35)45-32-18-17-30(28-11-6-7-12-29(28)32)39-36(44)40-33-22-31(23(2)3)42-43(33)27-15-13-24(4)14-16-27/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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
Show SMILES COCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H51N7O8/c1-30(2)39-29-41(51(50-39)33-12-10-31(3)11-13-33)48-44(52)47-38-14-15-40(37-9-7-6-8-36(37)38)59-42-16-17-45-43(49-42)46-32-26-34(54-5)28-35(27-32)58-25-24-57-23-22-56-21-20-55-19-18-53-4/h6-17,26-30H,18-25H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334350
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C42H44F3N7O6/c1-27(2)36-26-38(52(51-36)31-11-9-28(3)10-12-31)49-41(53)48-35-13-14-37(34-8-6-5-7-33(34)35)58-39-15-16-46-40(50-39)47-30-23-29(42(43,44)45)24-32(25-30)57-22-21-56-20-19-55-18-17-54-4/h5-16,23-27H,17-22H2,1-4H3,(H,46,47,50)(H2,48,49,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334349
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C42H44F3N7O7/c1-27(2)36-26-38(52(51-36)30-11-9-28(3)10-12-30)49-41(53)48-35-13-14-37(34-8-6-5-7-33(34)35)58-39-15-16-46-40(50-39)47-29-23-31(25-32(24-29)59-42(43,44)45)57-22-21-56-20-19-55-18-17-54-4/h5-16,23-27H,17-22H2,1-4H3,(H,46,47,50)(H2,48,49,53)
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Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))		BDBM334368
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C#N
Show InChI InChI=1S/C43H46N8O6/c1-29-10-12-32(13-11-29)51-39(27-38(50-51)43(2,3)4)48-42(52)47-36-14-15-37(35-9-7-6-8-34(35)36)57-40-16-17-45-41(49-40)46-31-24-30(28-44)25-33(26-31)56-23-22-55-21-20-54-19-18-53-5/h6-17,24-27H,18-23H2,1-5H3,(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 US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%