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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 335.4
BDBM50126419
Wt: 340.3
BDBM50249319
Purchase
Wt: 342.3
BDBM50297455
Wt: 262.3
BDBM50390572
Wt: 276.3
BDBM50390546
Wt: 290.3
BDBM50390547
Wt: 304.3
BDBM50390548
Wt: 320.3
BDBM50390549
Wt: 321.3
BDBM50390550
Wt: 334.4
BDBM50390551
Wt: 346.4
BDBM50390553
Wt: 333.3
BDBM50390558
Wt: 332.4
BDBM50390559
Wt: 319.4
BDBM50390570
Wt: 292.3
BDBM50434379
Purchase
Displayed 1 to 15 (of 60 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 44 hits in this display   
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 9


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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70n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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450n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by spectrophotometric coupled enzyme assay


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Syk (unknown origin)


Bioorg Med Chem Lett 19: 1944-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against spleen tyrosine kinase (SYK)


Bioorg Med Chem Lett 13: 1415-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00163-x
BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of p72 Syk


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of spleen tyrosine kinase (unknown origin)


Eur J Med Chem 67: 434-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.070
BindingDB Entry DOI: 10.7270/Q2Z039JB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Syk (unknown origin)


Bioorg Med Chem Lett 19: 1944-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390559
PNG
(CHEMBL2069348)
Show SMILES C1CN(CCN1)c1cccc(c1)-c1cccc(Nc2cnccn2)n1
Show InChI InChI=1S/C19H20N6/c1-3-15(13-16(4-1)25-11-9-20-10-12-25)17-5-2-6-18(23-17)24-19-14-21-7-8-22-19/h1-8,13-14,20H,9-12H2,(H,22,23,24)
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n/an/a 43n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390558
PNG
(CHEMBL2069347)
Show SMILES C1CN(CCN1)c1cc(ccn1)-c1cccc(Nc2cnccn2)n1
Show InChI InChI=1S/C18H19N7/c1-2-15(23-16(3-1)24-17-13-20-6-7-21-17)14-4-5-22-18(12-14)25-10-8-19-9-11-25/h1-7,12-13,19H,8-11H2,(H,21,23,24)
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n/an/a 62n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390570
PNG
(CHEMBL2069337)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2cccc(NCCN)c2)c1
Show InChI InChI=1S/C19H21N5/c1-14-8-10-22-19(12-14)24-18-7-3-6-17(23-18)15-4-2-5-16(13-15)21-11-9-20/h2-8,10,12-13,21H,9,11,20H2,1H3,(H,22,23,24)
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n/an/a 91n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390548
PNG
(CHEMBL2069340)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2cccc(CCN)c2)c1
Show InChI InChI=1S/C19H20N4/c1-14-9-11-21-19(12-14)23-18-7-3-6-17(22-18)16-5-2-4-15(13-16)8-10-20/h2-7,9,11-13H,8,10,20H2,1H3,(H,21,22,23)
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n/an/a 160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390549
PNG
(CHEMBL2069336)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2ccnc(NCCN)c2)c1
Show InChI InChI=1S/C18H20N6/c1-13-5-8-21-18(11-13)24-16-4-2-3-15(23-16)14-6-9-20-17(12-14)22-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,20,22)(H,21,23,24)
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n/an/a 200n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390553
PNG
(CHEMBL2069342)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2ccnc(c2)N2CCC(N)C2)c1
Show InChI InChI=1S/C20H22N6/c1-14-5-8-22-19(11-14)25-18-4-2-3-17(24-18)15-6-9-23-20(12-15)26-10-7-16(21)13-26/h2-6,8-9,11-12,16H,7,10,13,21H2,1H3,(H,22,24,25)
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n/an/a 450n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390551
PNG
(CHEMBL2069334)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2ccnc(NCCCN)c2)c1
Show InChI InChI=1S/C19H22N6/c1-14-6-10-23-19(12-14)25-17-5-2-4-16(24-17)15-7-11-22-18(13-15)21-9-3-8-20/h2,4-7,10-13H,3,8-9,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a 528n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390547
PNG
(CHEMBL2069339)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2cccc(CN)c2)c1
Show InChI InChI=1S/C18H18N4/c1-13-8-9-20-18(10-13)22-17-7-3-6-16(21-17)15-5-2-4-14(11-15)12-19/h2-11H,12,19H2,1H3,(H,20,21,22)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390550
PNG
(CHEMBL2069335)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2ccnc(NCCO)c2)c1
Show InChI InChI=1S/C18H19N5O/c1-13-5-7-20-18(11-13)23-16-4-2-3-15(22-16)14-6-8-19-17(12-14)21-9-10-24/h2-8,11-12,24H,9-10H2,1H3,(H,19,21)(H,20,22,23)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390572
PNG
(CHEMBL2069361)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H14N4/c1-12-7-9-18-16(10-12)20-15-6-2-5-14(19-15)13-4-3-8-17-11-13/h2-11H,1H3,(H,18,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50390546
PNG
(CHEMBL2069338)
Show SMILES Cc1ccnc(Nc2cccc(n2)-c2cccc(N)c2)c1
Show InChI InChI=1S/C17H16N4/c1-12-8-9-19-17(10-12)21-16-7-3-6-15(20-16)13-4-2-5-14(18)11-13/h2-11H,18H2,1H3,(H,19,20,21)
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n/an/a 3.24E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay


Bioorg Med Chem Lett 22: 5419-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.045
BindingDB Entry DOI: 10.7270/Q2416Z4V
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of ZAP70


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 1.55E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Btk


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens)
BDBM50434379
PNG
(CLADOSPORIN)
Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Drug Discovery for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytoplasmic lysyl-tRNA synthetase


Bioorg Med Chem Lett 23: 2829-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.067
BindingDB Entry DOI: 10.7270/Q20R9QSM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 2.26E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Itk


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/an/a 395n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human TXK


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 2


(Homo sapiens)
BDBM50126419
PNG
(CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1
Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)
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n/an/an/a 623n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human SLK


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair