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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'arikawa' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204291
PNG
(CHEMBL3953104 | US20230295171, Example 76)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C21H24N6O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-21(18)28)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,16-17H,2-3,7-8,11,23H2,1H3,(H,24,28)(H2,25,26,27)/t16-,17+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204291
PNG
(CHEMBL3953104 | US20230295171, Example 76)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C21H24N6O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-21(18)28)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,16-17H,2-3,7-8,11,23H2,1H3,(H,24,28)(H2,25,26,27)/t16-,17+/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620222
PNG
(BDBM50204292 | US20230295171, Example 82)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3CNC(=O)c23)c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204296
PNG
(CHEMBL3941633 | US20230295171, Example 75)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H24ClN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204296
PNG
(CHEMBL3941633 | US20230295171, Example 75)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H24ClN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620222
PNG
(BDBM50204292 | US20230295171, Example 82)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3CNC(=O)c23)c1 |r|
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n/an/a 0.900n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620245
PNG
(US20230295171, Example 105)
Show SMILES Cc1csc(c1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204293
PNG
(CHEMBL3983415 | US20230295171, Example 25)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H24FN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204293
PNG
(CHEMBL3983415 | US20230295171, Example 25)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H24FN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620210
PNG
(US20230295171, Example 70)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2cnn(C)c2)c2C(=O)NCc2c1F)C(N)=O |r|
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n/an/a 1.58n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620244
PNG
(US20230295171, Example 104)
Show SMILES Cc1csc(c1)-c1nc(N[C@@H]2CCOC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged SYK cytoplasmic domain expressed in baculovirus expression system by Z'-LYTE assay


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620163
PNG
(US20230295171, Example 23)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2CNC(=O)c2c(Nc2ccc3cn[nH]c3c2)n1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204289
PNG
(CHEMBL3892927 | US20230295171, Example 13)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H25N5O/c1-12-5-4-6-14(9-12)23-19-18-13(11-22-20(18)26)10-17(25-19)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,11,21H2,1H3,(H,22,26)(H2,23,24,25)/t15-,16+/m0/s1
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n/an/a 2n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620252
PNG
(US20230295171, Example 112 | US20230295171, Exampl...)
Show SMILES Cc1ncc(s1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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TBA



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


(Homo sapiens (Human))
BDBM50204295
PNG
(CHEMBL3944381)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1C#N |r|
Show InChI InChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620190
PNG
(US20230295171, Example 50)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2coc3ccccc23)c2C(=O)NCc2c1F |r|
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n/an/a 2.51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620171
PNG
(US20230295171, Example 31)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1F |r|
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n/an/a 2.51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620187
PNG
(US20230295171, Example 47)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc2CNC(=O)c2c(n1)-c1cc2ccccc2[nH]1 |r|
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n/an/a 2.51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 2.51n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620248
PNG
(US20230295171, Example 108)
Show SMILES Cc1ccc(s1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 2.51n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM620246
PNG
(US20230295171, Example 106)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2ccsc2)c2C(=O)NCc2c1F |r|
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n/an/a 2.51n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50173629
PNG
(CHEMBL197912 | Cyclopentyl-[4-(2-ethyl-4-m-tolyl-t...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC2CCCC2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C22H25N3S/c1-3-20-25-21(16-8-6-7-15(2)13-16)22(26-20)17-11-12-23-19(14-17)24-18-9-4-5-10-18/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204288
PNG
(CHEMBL3925430 | US20230295171, Example 88)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C21H27N5O/c1-12-6-5-7-14(10-12)24-20-18-15(11-23-21(18)27)13(2)19(26-20)25-17-9-4-3-8-16(17)22/h5-7,10,16-17H,3-4,8-9,11,22H2,1-2H3,(H,23,27)(H2,24,25,26)/t16-,17+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620221
PNG
(US20230295171, Example 81)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(I)c3CNC(=O)c23)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM510496
PNG
(US11077111, Compound IVa | US20230295171, Example ...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(Cl)c2CNC(=O)c12
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620249
PNG
(US20230295171, Example 109)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2cc(C)cs2)c2C(=O)NCc2c1F)C(N)=O |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620239
PNG
(US20230295171, Example 99)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(Br)c2CNC(=O)c12 |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620234
PNG
(US20230295171, Example 94)
Show SMILES N[C@H]1COCC[C@H]1Nc1nc(-c2coc3ccccc23)c2C(=O)NCc2c1F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204288
PNG
(CHEMBL3925430 | US20230295171, Example 88)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C21H27N5O/c1-12-6-5-7-14(10-12)24-20-18-15(11-23-21(18)27)13(2)19(26-20)25-17-9-4-3-8-16(17)22/h5-7,10,16-17H,3-4,8-9,11,22H2,1-2H3,(H,23,27)(H2,24,25,26)/t16-,17+/m0/s1
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620269
PNG
(US20230295171, Example 129)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cccs2)c2C(=O)NCc2c1F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620218
PNG
(US20230295171, Example 78)
Show SMILES COC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2C(=O)NCc2c1C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620170
PNG
(US20230295171, Example 30)
Show SMILES CN\C=C(/C=N)c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620229
PNG
(US20230295171, Example 89)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620272
PNG
(US20230295171, Example 132)
Show SMILES Cc1cc(sn1)-c1nc(N[C@@H]2CCOC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620225
PNG
(US20230295171, Example 85)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)cc3CNC(=O)c23)c1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920 | US11077111, Compound IIIa | US2023...)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 6His-tagged FLT3 (564 to 993 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-KKKKEEIYFFFG-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204289
PNG
(CHEMBL3892927 | US20230295171, Example 13)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C20H25N5O/c1-12-5-4-6-14(9-12)23-19-18-13(11-22-20(18)26)10-17(25-19)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,11,21H2,1H3,(H,22,26)(H2,23,24,25)/t15-,16+/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620214
PNG
(US20230295171, Example 74)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1F)C(N)=O |r|
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n/an/a 5.01n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50173614
PNG
(CHEMBL196575 | [4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NCCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C25H25N3S/c1-3-23-28-24(20-11-7-8-18(2)16-20)25(29-23)21-13-15-27-22(17-21)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,27)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173627
PNG
(CHEMBL197581 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)Cc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C25H23N3OS/c1-3-23-28-24(19-11-7-8-17(2)14-19)25(30-23)20-12-13-26-21(16-20)27-22(29)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,26,27,29)
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n/an/a 5.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620267
PNG
(US20230295171, Example 127)
Show SMILES N[C@H]1COCC[C@H]1Nc1nc(-c2cccs2)c2C(=O)NCc2c1F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173621
PNG
(Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H23N3S/c1-3-22-27-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-25-21(15-20)26-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,26)
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173609
PNG
(CHEMBL363648 | D3RKN_11 | N-[4-(2-Ethyl-4-m-tolyl-...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50173606
PNG
(CHEMBL198383 | Cyclohexanecarboxylic acid [4-(2-et...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)C2CCCCC2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H27N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,25,26,28)
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n/an/a 7.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha


J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620213
PNG
(US20230295171, Example 73)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2coc3ccccc23)c2C(=O)NCc2c1F)C(N)=O |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620251
PNG
(US20230295171, Example 111)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2ccc(C)s2)c2C(=O)NCc2c1F)C(N)=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM620256
PNG
(US20230295171, Example 116)
Show SMILES CC(C)C[C@@H](Nc1nc(-c2ccc(s2)C#N)c2C(=O)NCc2c1F)C(N)=O |r|
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Ligand-Target Pair
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