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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'natala' and Initial = 'sr'   
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))
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))
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))
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))
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))
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))
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)
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))
BDBM50204294
PNG
(CHEMBL3943295 | US20230295171, Example 8)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3CNC(=O)c23)c1 |r|
Show InChI InChI=1S/C19H24N6O/c1-11-5-4-6-12(9-11)22-17-16-15(10-21-18(16)26)24-19(25-17)23-14-8-3-2-7-13(14)20/h4-6,9,13-14H,2-3,7-8,10,20H2,1H3,(H,21,26)(H2,22,23,24,25)/t13-,14+/m0/s1
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n/an/a 13n/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)
Proto-oncogene tyrosine-protein kinase receptor Ret


(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 19n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged RET cytoplasmic domain (658 to 1114 residues) 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
Ephrin type-A receptor 1


(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 31n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EPHA1 cytoplasmic domain (568 to 976 residues) 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
Serine/threonine-protein kinase Chk1


(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 50n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged CHK1 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
Tyrosine-protein kinase Fer


(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 51n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FER cytoplasmic domain (541 to 822 residues) 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
Tyrosine-protein kinase ZAP-70


(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 75n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged ZAP-70 (1 to 619 residues) expressed in baculovirus expression system using ULight peptide as s...


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
Serine/threonine-protein kinase PAK 4


(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 76n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PAK4 catalytic domain (295 to 591 residues) 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
Vascular endothelial growth factor receptor 2


(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 88n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 cytoplasmic domain (789 to1356 residues) expressed in baculovirus expression system by Z'-LYTE assa...


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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649721
PNG
(3-fluoro-2-hydroxy-5-(1-(4- (trifluoromethyl)pheny...)
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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 114n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus expression system using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 as subst...


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
Vascular endothelial growth factor receptor 2


(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 135n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 6His-tagged VEGFR2 (807 to 1171 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-...


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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649750
PNG
(2-fluoro-6- ((morpholinoimino)methyl)-4- (3-(4-(py...)
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n/an/a 140n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50570373
PNG
(CHEMBL4852939)
Show SMILES Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCN)NCc1ccccc1)OCCCCCCCCCCCCCC |r|
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR2 expressed in HEK-Blue cells assessed as inhibition of Pam3CSK4-induced TLR2/TLR1 activation by measuring decrease i...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127861
BindingDB Entry DOI: 10.7270/Q2CR5Z4W
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50570375
PNG
(CHEMBL4856507)
Show SMILES Cl.CCCCCCCCCCCCCCOCC(CNC(=O)c1cccc(c1)C1CCNCC1)OCCCCCCCCCCCCCC
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n/an/a 200n/an/an/an/an/an/a


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Assay Description
Antagonist activity at human TLR2 expressed in HEK-Blue cells assessed as inhibition of Pam3CSK4-induced TLR2/TLR1 activation by measuring decrease i...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127861
BindingDB Entry DOI: 10.7270/Q2CR5Z4W
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649705
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(5-(3-(pyrrolidin-1...)
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More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649697
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(5-phenylthiazol-2-...)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649763
PNG
(8-fluoro-4-hydroxy-3-(2- methoxyethyl)-6-(3-(4- (p...)
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More data for this
Ligand-Target Pair
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform


(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 226n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PHKG2 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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649747
PNG
((3-fluoro-4-hydroxy-5-(((4- methylpiperazin-1- yl)...)
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n/an/a 260n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649748
PNG
((3-fluoro-4-hydroxy-5- ((morpholinoimino)methyl) p...)
PDB

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n/an/a 260n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649759
PNG
(2-fluoro-6-formyl-4-(3-(4- (pyrrolidin-1-yl)phenyl...)
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More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50570372
PNG
(CHEMBL4865889)
Show SMILES Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@@H](CCCCN)NCc1ccccc1)OCCCCCCCCCCCCCC |r|
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR2 expressed in HEK-Blue cells assessed as inhibition of Pam3CSK4-induced TLR2/TLR1 activation by measuring decrease i...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127861
BindingDB Entry DOI: 10.7270/Q2CR5Z4W
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649710
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(6-(pyrrolidin-1-yl...)
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More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649711
PNG
(3-fluoro-2-hydroxy-5-(4-(4- (pyrrolidin-1- yl)phen...)
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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649723
PNG
(5-hydroxy-2-(2-(6-(pyrrolidin- 1-yl)pyridin-3-yl)t...)
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More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649747
PNG
((3-fluoro-4-hydroxy-5-(((4- methylpiperazin-1- yl)...)
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More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649704
PNG
(3-fluoro-N-(5-(4- fluorophenyl)thiazol-2-yl)-5- fo...)
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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM649710
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(6-(pyrrolidin-1-yl...)
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n/an/a 400n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649749
PNG
((E)-2-fluoro-6-(((4- methylpiperazin-1- yl)imino)m...)
PDB

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n/an/a 410n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649762
PNG
(8-fluoro-4-hydroxy-3-methyl- 6-(3-(4-(pyrrolidin-1...)
PDB
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More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649756
PNG
(2-fluoro-6-formyl-4-(3-(4- (pyrrolidin-1-yl)phenyl...)
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More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM649721
PNG
(3-fluoro-2-hydroxy-5-(1-(4- (trifluoromethyl)pheny...)
PDB

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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649748
PNG
((3-fluoro-4-hydroxy-5- ((morpholinoimino)methyl) p...)
PDB
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More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649751
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(3-(4-(pyrrolidin-1...)
PDB

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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649757
PNG
(2-fluoro-6-formyl-4-(3-(4- (pyrrolidin-1-yl)phenyl...)
PDB
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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649697
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(5-phenylthiazol-2-...)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM649695
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(5-phenyl-1,3,4-thi...)
PDB

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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649721
PNG
(3-fluoro-2-hydroxy-5-(1-(4- (trifluoromethyl)pheny...)
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM649747
PNG
((3-fluoro-4-hydroxy-5-(((4- methylpiperazin-1- yl)...)
PDB

UniProtKB/SwissProt

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n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 6


(Homo sapiens)
BDBM649751
PNG
(3-fluoro-5-formyl-4-hydroxy- N-(3-(4-(pyrrolidin-1...)
PDB
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TBA



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More data for this
Ligand-Target Pair
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