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Compile Data Set for Download or QSAR

Found 284 hits with Last Name = 'frickel' and Initial = 'f'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156158
PNG
(CHEMBL3781244)
Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)
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n/an/a 1n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM206344
PNG
(US9260410, 2)
Show SMILES CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O3/c1-21-10-12-24(13-11-21)39-31(19-29(38-39)33(3,4)5)37-32(41)36-27-14-15-28(26-9-7-6-8-25(26)27)42-20-23-16-17-34-30(18-23)35-22(2)40/h6-19H,20H2,1-5H3,(H,34,35,40)(H2,36,37,41)
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n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156162
PNG
(CHEMBL3781245)
Show SMILES CSCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O3S/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)43-20-23-16-17-35-30(18-23)37-32(41)21-44-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156160
PNG
(CHEMBL3780667)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CN3CCOCC3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H41N7O4/c1-25-9-11-27(12-10-25)44-34(22-32(42-44)37(2,3)4)41-36(46)39-30-13-14-31(29-8-6-5-7-28(29)30)48-24-26-15-16-38-33(21-26)40-35(45)23-43-17-19-47-20-18-43/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,38,40,45)(H2,39,41,46)
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n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156129
PNG
(CHEMBL3782036)
Show SMILES COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C35H38N6O4/c1-23-10-12-25(13-11-23)41-32(20-31(40-41)35(2,3)4)39-34(43)38-28-14-15-30(27-9-7-6-8-26(27)28)45-19-17-24-16-18-36-21-29(24)37-33(42)22-44-5/h6-16,18,20-21H,17,19,22H2,1-5H3,(H,37,42)(H2,38,39,43)
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n/an/a 3n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
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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n/an/a 3n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 4n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 4n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM142597
PNG
(US8933228, Ref 1)
Show SMILES COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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n/an/a 5n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 6n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156133
PNG
(CHEMBL3782009)
Show SMILES CC(=O)Nc1nccn1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C32H35N7O3/c1-21-10-12-23(13-11-21)39-29(20-28(37-39)32(3,4)5)36-31(41)35-26-14-15-27(25-9-7-6-8-24(25)26)42-19-18-38-17-16-33-30(38)34-22(2)40/h6-17,20H,18-19H2,1-5H3,(H,33,34,40)(H2,35,36,41)
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n/an/a 6n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 6n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156144
PNG
(CHEMBL3781687)
Show SMILES CNC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H37N7O3/c1-22-10-12-24(13-11-22)41-31(21-29(40-41)34(2,3)4)39-33(43)37-27-14-15-28(26-9-7-6-8-25(26)27)44-19-17-23-16-18-36-30(20-23)38-32(42)35-5/h6-16,18,20-21H,17,19H2,1-5H3,(H2,37,39,43)(H2,35,36,38,42)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156135
PNG
(CHEMBL3781413)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(c2)C(=O)NCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H43N7O4/c1-26-9-11-28(12-10-26)45-35(24-34(43-45)38(2,3)4)42-37(47)41-31-13-14-33(30-8-6-5-7-29(30)31)49-25-27-15-16-39-32(23-27)36(46)40-17-18-44-19-21-48-22-20-44/h5-16,23-24H,17-22,25H2,1-4H3,(H,40,46)(H2,41,42,47)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 7n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 7n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156128
PNG
(CHEMBL3780488)
Show SMILES CC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C34H36N6O3/c1-22-10-12-25(13-11-22)40-32(20-31(39-40)34(3,4)5)38-33(42)37-28-14-15-30(27-9-7-6-8-26(27)28)43-19-17-24-16-18-35-21-29(24)36-23(2)41/h6-16,18,20-21H,17,19H2,1-5H3,(H,36,41)(H2,37,38,42)
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n/an/a 8n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156163
PNG
(CHEMBL3780832)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H36N6O5S/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)45-20-23-16-17-35-30(18-23)37-32(41)21-46(5,43)44/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156157
PNG
(CHEMBL3781473)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)Cc3ccccc3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H38N6O3/c1-26-14-16-29(17-15-26)45-36(24-34(44-45)39(2,3)4)43-38(47)41-32-18-19-33(31-13-9-8-12-30(31)32)48-25-28-20-21-40-35(22-28)42-37(46)23-27-10-6-5-7-11-27/h5-22,24H,23,25H2,1-4H3,(H,40,42,46)(H2,41,43,47)
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n/an/a 9n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 10n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 10n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 10n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 10n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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))		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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n/an/a 11n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent 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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n/an/a 11n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156127
PNG
(CHEMBL3781430)
Show SMILES CC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O3/c1-22-10-12-25(13-11-22)40-32(21-30(39-40)34(3,4)5)38-33(42)37-28-14-15-29(27-9-7-6-8-26(27)28)43-19-17-24-16-18-35-31(20-24)36-23(2)41/h6-16,18,20-21H,17,19H2,1-5H3,(H,35,36,41)(H2,37,38,42)
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n/an/a 11n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156126
PNG
(CHEMBL3780111)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2N)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H34N6O2/c1-21-9-11-23(12-10-21)38-30(19-29(37-38)32(2,3)4)36-31(39)35-27-13-14-28(25-8-6-5-7-24(25)27)40-18-16-22-15-17-34-20-26(22)33/h5-15,17,19-20H,16,18,33H2,1-4H3,(H2,35,36,39)
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n/an/a 11n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 11n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 12n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/a 12n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 12n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM50156136
PNG
(CHEMBL3781532)
Show SMILES COC(=O)Nc1cc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(21-29(39-40)34(2,3)4)38-32(41)36-27-14-15-28(26-9-7-6-8-25(26)27)44-19-17-23-16-18-35-30(20-23)37-33(42)43-5/h6-16,18,20-21H,17,19H2,1-5H3,(H,35,37,42)(H2,36,38,41)
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n/an/a 13n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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n/an/a 13n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 14n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 15n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 15n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 15n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 16n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 16n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 16n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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n/an/a 17n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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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US Patent
n/an/a 17n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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 14


(Homo sapiens (Human))		BDBM14840
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-9-11-24(12-10-22)37-30(21-29(36-37)32(2,3)4)35-31(38)34-27-13-14-28(26-8-6-5-7-25(26)27)39-20-17-23-15-18-33-19-16-23/h5-16,18-19,21H,17,20H2,1-4H3,(H2,34,35,38)
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n/an/a 17n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50156137
PNG
(CHEMBL3780714)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H34N6O4S/c1-21-10-12-23(13-11-21)38-30(19-28(36-38)32(2,3)4)35-31(39)34-26-14-15-27(25-9-7-6-8-24(25)26)42-20-22-16-17-33-29(18-22)37-43(5,40)41/h6-19H,20H2,1-5H3,(H,33,37)(H2,34,35,39)
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n/an/a 18n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...

J Med Chem 59: 1727-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01029
BindingDB Entry DOI: 10.7270/Q2319XRB
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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US Patent
n/an/a 18n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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
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