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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50044331   
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))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013173
PNG
(CHEMBL3262625)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C23H26N6O/c1-13-12-26-21-15(13)5-4-8-18(21)28-22-20-14(9-10-25-23(20)30)11-19(29-22)27-17-7-3-2-6-16(17)24/h4-5,8-12,16-17,26H,2-3,6-7,24H2,1H3,(H,25,30)(H2,27,28,29)/t16-,17+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013171
PNG
(CHEMBL3262623)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 |r|
Show InChI InChI=1S/C22H23ClN6O/c23-14-11-26-20-13(14)4-3-7-17(20)28-21-19-12(8-9-25-22(19)30)10-18(29-21)27-16-6-2-1-5-15(16)24/h3-4,7-11,15-16,26H,1-2,5-6,24H2,(H,25,30)(H2,27,28,29)/t15-,16+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013166
PNG
(CHEMBL3262617)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C20H21N7O2/c21-12-9-29-7-5-13(12)25-16-8-15-17(20(28)24-10-23-15)19(27-16)26-14-3-1-2-11-4-6-22-18(11)14/h1-4,6,8,10,12-13,22H,5,7,9,21H2,(H,23,24,28)(H2,25,26,27)/t12-,13+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013163
PNG
(CHEMBL3262358)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22ClN7O/c22-12-9-24-19-11(12)4-3-7-15(19)28-20-18-16(25-10-26-21(18)30)8-17(29-20)27-14-6-2-1-5-13(14)23/h3-4,7-10,13-14,24H,1-2,5-6,23H2,(H,25,26,30)(H2,27,28,29)/t13-,14+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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n/an/a 42n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013166
PNG
(CHEMBL3262617)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C20H21N7O2/c21-12-9-29-7-5-13(12)25-16-8-15-17(20(28)24-10-23-15)19(27-16)26-14-3-1-2-11-4-6-22-18(11)14/h1-4,6,8,10,12-13,22H,5,7,9,21H2,(H,23,24,28)(H2,25,26,27)/t12-,13+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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n/an/a 68n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013173
PNG
(CHEMBL3262625)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C23H26N6O/c1-13-12-26-21-15(13)5-4-8-18(21)28-22-20-14(9-10-25-23(20)30)11-19(29-22)27-17-7-3-2-6-16(17)24/h4-5,8-12,16-17,26H,2-3,6-7,24H2,1H3,(H,25,30)(H2,27,28,29)/t16-,17+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013165
PNG
(CHEMBL3262616)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-4-1-2-5-16(13)26-18-10-17-19(21(29)25-11-24-17)20(28-18)27-15-7-3-6-14-12(15)8-9-23-14/h3,6-11,13,16,23H,1-2,4-5,22H2,(H,24,25,29)(H2,26,27,28)/t13-,16+/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013173
PNG
(CHEMBL3262625)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C23H26N6O/c1-13-12-26-21-15(13)5-4-8-18(21)28-22-20-14(9-10-25-23(20)30)11-19(29-22)27-17-7-3-2-6-16(17)24/h4-5,8-12,16-17,26H,2-3,6-7,24H2,1H3,(H,25,30)(H2,27,28,29)/t16-,17+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 112n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013160
PNG
(CHEMBL3262355)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C21H23N9O/c22-15-6-1-2-7-16(15)28-18-11-17-19(21(31)24-12-23-17)20(29-18)27-13-4-3-5-14(10-13)30-25-8-9-26-30/h3-5,8-12,15-16H,1-2,6-7,22H2,(H,23,24,31)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013161
PNG
(CHEMBL3262356)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013168
PNG
(CHEMBL3262619)
Show SMILES O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3cccc4cc[nH]c34)c12 |r|
Show InChI InChI=1S/C20H21N7O/c28-20-17-15(23-11-24-20)9-16(25-13-4-2-7-21-10-13)27-19(17)26-14-5-1-3-12-6-8-22-18(12)14/h1,3,5-6,8-9,11,13,21-22H,2,4,7,10H2,(H,23,24,28)(H2,25,26,27)/t13-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 178n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013169
PNG
(CHEMBL3262620)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C21H23N7O2/c1-11-8-23-19-12(11)3-2-4-15(19)27-20-18-16(24-10-25-21(18)29)7-17(28-20)26-14-5-6-30-9-13(14)22/h2-4,7-8,10,13-14,23H,5-6,9,22H2,1H3,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
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n/an/a 184n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013170
PNG
(CHEMBL3262622)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 |r|
Show InChI InChI=1S/C21H23N7O2/c1-28-10-13-15(3-2-4-16(13)27-28)25-20-19-12(5-7-23-21(19)29)9-18(26-20)24-17-6-8-30-11-14(17)22/h2-5,7,9-10,14,17H,6,8,11,22H2,1H3,(H,23,29)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013162
PNG
(CHEMBL3262357)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 |r|
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-13(12)5-4-8-16(20)28-21-19-17(25-11-26-22(19)30)9-18(29-21)27-15-7-3-2-6-14(15)23/h4-5,8-11,14-15,24H,2-3,6-7,23H2,1H3,(H,25,26,30)(H2,27,28,29)/t14-,15+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
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