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Compile Data Set for Download or QSAR

Found 596 hits with Last Name = 'payan' and Initial = 'dg'   
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))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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1.80n/an/an/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50325991
PNG
(2-(7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-...)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
Show InChI InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
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7.5n/an/an/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396074
PNG
(CHEMBL2170585)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-13(9-19(18)29-2)16-11-20-22-7-8-27(20)21(25-16)24-15-5-3-14-12-23-26-17(14)10-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
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10n/an/an/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
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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30n/an/an/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
3D
3D Structure (crystal)
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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30n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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35n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249090
PNG
(3,3'-(5-fluoropyrimidine-2,4-diyl)bis(azanediyl)di...)
Show SMILES Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
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96n/an/an/an/an/an/an/an/a



Amarit Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 25: 2117-21 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.075
BindingDB Entry DOI: 10.7270/Q2R49SFK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249090
PNG
(3,3'-(5-fluoropyrimidine-2,4-diyl)bis(azanediyl)di...)
Show SMILES Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
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96n/an/an/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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116n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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130n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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160n/an/an/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
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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217n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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5.00E+3n/an/an/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
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255524
PNG
(N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]...)
Show SMILES CNC(=O)COC1=C(C)CCC(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)=C1 |c:6,36|
Show InChI InChI=1S/C22H21F3N6O4/c1-11-3-4-13(8-17(11)34-10-18(32)26-2)29-21-27-9-14(23)19(31-21)28-12-5-6-16-15(7-12)30-20(33)22(24,25)35-16/h5-9H,3-4,10H2,1-2H3,(H,26,32)(H,30,33)(H2,27,28,29,31)
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US Patent
n/an/a 0.450n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251456
PNG
(CHEMBL4084955)
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n/an/a 1n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251453
PNG
(CHEMBL4079572)
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n/an/a 1n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 4n/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
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human mast cell cultures assessed as reduction in Anti-IgG-stimulated FcgammaR-mediated leukotriene LTC4 production by fluoresce...


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
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(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 5n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ret by biochemical assay


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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50126413
PNG
(CHEMBL287478 | N*1*-[7-(4-Morpholin-4-yl-phenyl)-[...)
Show SMILES NCCCNc1nc(cc2ncccc12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O/c22-8-2-10-24-21-18-3-1-9-23-20(18)15-19(25-21)16-4-6-17(7-5-16)26-11-13-27-14-12-26/h1,3-7,9,15H,2,8,10-14,22H2,(H,24,25)
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n/an/a 8n/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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251509
PNG
(CHEMBL4064316)
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n/an/a 8n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251457
PNG
(CHEMBL4105629)
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n/an/a 8n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251436
PNG
(CHEMBL4091320)
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n/an/a 10n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255515
PNG
(US9499493, R950368)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCCC(N)c4c3)n2)c1
Show InChI InChI=1/C22H23FN6O3/c1-25-20(30)12-32-15-4-2-3-13(9-15)28-22-26-11-17(23)21(29-22)27-14-5-6-19-16(10-14)18(24)7-8-31-19/h2-6,9-11,18H,7-8,12,24H2,1H3,(H,25,30)(H2,26,27,28,29)
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n/an/a 10.7n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132443
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(N)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-31-14-4-7-20-16(10-14)13(12-26(20)8-2-3-21(23)27)9-18-17-11-15(32(24,29)30)5-6-19(17)25-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H2,23,27)(H,25,28)(H2,24,29,30)/b18-9-
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n/an/a 12n/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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251451
PNG
(CHEMBL4069163)
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n/an/a 12n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255514
PNG
(US9499493, R921304)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCC(=O)Nc4n3)n2)c1
Show InChI InChI=1S/C20H18FN7O4/c1-22-16(29)9-31-12-4-2-3-11(7-12)24-20-23-8-13(21)18(28-20)25-15-6-5-14-19(26-15)27-17(30)10-32-14/h2-8H,9-10H2,1H3,(H,22,29)(H3,23,24,25,26,27,28,30)
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n/an/a 12.8n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132436
PNG
(3-((1-methyl-1H-indol-3-yl)methylene)-2-oxoindolin...)
Show SMILES Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
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n/an/a 14n/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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50081190
PNG
(CHEMBL3421979)
Show SMILES Cc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C12H10N4/c1-8-14-5-3-11(16-8)10-6-15-12-7-13-4-2-9(10)12/h2-7,15H,1H3
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n/an/a 19n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132433
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C20H19N3O4S/c1-21-28(25,26)14-5-6-18-16(10-14)17(20(24)22-18)8-12-11-23(2)19-7-4-13(27-3)9-15(12)19/h4-11,21H,1-3H3,(H,22,24)/b17-8-
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n/an/a 20n/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255518
PNG
((+/-)-5-Fluoro-N2-[(N-methyl acetamido-2)-3-phenox...)
Show SMILES COC1=CCCC(Nc2ncc(F)c(Nc3ccc4OC(C)CNc4c3)n2)=C1NC(C)=O |c:29,t:2|
Show InChI InChI=1/C22H25FN6O3/c1-12-10-24-17-9-14(7-8-18(17)32-12)27-21-15(23)11-25-22(29-21)28-16-5-4-6-19(31-3)20(16)26-13(2)30/h6-9,11-12,24H,4-5,10H2,1-3H3,(H,26,30)(H2,25,27,28,29)
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n/an/a 24n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255508
PNG
(US9499493, R935302)
Show SMILES OCCCn1ncc2cc(Nc3ncc(F)c(Nc4ccc5OCCOc5c4)n3)ccc12
Show InChI InChI=1S/C22H21FN6O3/c23-17-13-24-22(27-15-2-4-18-14(10-15)12-25-29(18)6-1-7-30)28-21(17)26-16-3-5-19-20(11-16)32-9-8-31-19/h2-5,10-13,30H,1,6-9H2,(H2,24,26,27,28)
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n/an/a 26.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255513
PNG
(US9499493, R940338)
Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4ccc5OC(C)(C)C(=O)Nc5c4)n3)ccc12
Show InChI InChI=1S/C22H20FN7O2/c1-22(2)20(31)28-16-9-14(5-7-18(16)32-22)26-19-15(23)11-24-21(29-19)27-13-4-6-17-12(8-13)10-25-30(17)3/h4-11H,1-3H3,(H,28,31)(H2,24,26,27,29)
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n/an/a 28n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132437
PNG
(3-((1-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl)me...)
Show SMILES COc1ccc2n(CCCO)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H21N3O5S/c1-29-14-3-6-20-16(10-14)13(12-24(20)7-2-8-25)9-18-17-11-15(30(22,27)28)4-5-19(17)23-21(18)26/h3-6,9-12,25H,2,7-8H2,1H3,(H,23,26)(H2,22,27,28)/b18-9-
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n/an/a 32n/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50126443
PNG
(CHEMBL30678 | N*1*-[7-(4-Dimethylamino-phenyl)-[1,...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1
Show InChI InChI=1S/C19H23N5/c1-24(2)15-8-6-14(7-9-15)17-13-18-16(5-3-11-21-18)19(23-17)22-12-4-10-20/h3,5-9,11,13H,4,10,12,20H2,1-2H3,(H,22,23)
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n/an/a 34n/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
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255525
PNG
(N4-[(2,2-Dimethyl-4H-5-pyrido[1,4]oxazin-3-one)-6-...)
Show SMILES CNC(=O)COC1=C(C)CCC(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)=C1 |c:6,36|
Show InChI InChI=1S/C23H26FN7O4/c1-12-5-6-13(9-16(12)34-11-18(32)25-4)27-22-26-10-14(24)19(31-22)28-17-8-7-15-20(29-17)30-21(33)23(2,3)35-15/h7-10H,5-6,11H2,1-4H3,(H,25,32)(H3,26,27,28,29,30,31,33)
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n/an/a 34.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255501
PNG
(US9499493, R908702)
Show SMILES Oc1cccc(Nc2ncc(F)c(Nc3ccc4OCC(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C18H14FN5O3/c19-13-8-20-18(22-10-2-1-3-12(25)6-10)24-17(13)21-11-4-5-15-14(7-11)23-16(26)9-27-15/h1-8,25H,9H2,(H,23,26)(H2,20,21,22,24)
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n/an/a 37.8n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
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 41n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human mast cell cultures assessed as reduction in Anti-IgG-stimulated FcgammaR-mediated leukotriene LTC4 production by fluoresce...


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
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255509
PNG
(US9499493, R935304)
Show SMILES OCCCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc12
Show InChI InChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)10-14)25-15-5-6-18-13(9-15)11-23-27(18)7-2-8-28/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
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n/an/a 42n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255488
PNG
(US9499493, R935191)
Show SMILES Oc1cccc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)c1
Show InChI InChI=1S/C17H13FN6O/c18-14-9-19-17(22-12-5-4-10-8-20-24-15(10)7-12)23-16(14)21-11-2-1-3-13(25)6-11/h1-9,25H,(H,20,24)(H2,19,21,22,23)
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n/an/a 45n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255506
PNG
(US9499493, R935237)
Show SMILES COC(=O)Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc12
Show InChI InChI=1S/C20H17FN6O3/c1-30-18(29)11-27-17-6-5-14(7-12(17)9-23-27)25-20-22-10-16(21)19(26-20)24-13-3-2-4-15(28)8-13/h2-10,28H,11H2,1H3,(H2,22,24,25,26)
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n/an/a 45.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251479
PNG
(CHEMBL4073997)
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n/an/a 46n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255507
PNG
(US9499493, R935293)
Show SMILES OCCCn1ncc2ccc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)cc12
Show InChI InChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)9-14)25-15-6-5-13-11-23-27(7-2-8-28)18(13)10-15/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
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n/an/a 46.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255487
PNG
(US9499493, R935190)
Show SMILES Fc1cnc(Nc2ccc3cn[nH]c3c2)nc1Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H15FN6O2/c20-14-10-21-19(24-12-2-1-11-9-22-26-15(11)7-12)25-18(14)23-13-3-4-16-17(8-13)28-6-5-27-16/h1-4,7-10H,5-6H2,(H,22,26)(H2,21,23,24,25)
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n/an/a 46.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255505
PNG
(US9499493, R926839)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc(C)c(Cl)c3)n2)c1
Show InChI InChI=1S/C20H19ClFN5O2/c1-12-6-7-14(9-16(12)21)25-19-17(22)10-24-20(27-19)26-13-4-3-5-15(8-13)29-11-18(28)23-2/h3-10H,11H2,1-2H3,(H,23,28)(H2,24,25,26,27)
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n/an/a 55n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255510
PNG
(US9499493, R935307)
Show SMILES CC(C)Oc1ccc(Nc2nc(Nc3ccc4n(CCCO)ncc4c3)ncc2F)cc1
Show InChI InChI=1S/C23H25FN6O2/c1-15(2)32-19-7-4-17(5-8-19)27-22-20(24)14-25-23(29-22)28-18-6-9-21-16(12-18)13-26-30(21)10-3-11-31/h4-9,12-15,31H,3,10-11H2,1-2H3,(H2,25,27,28,29)
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n/an/a 57n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50251477
PNG
(CHEMBL4075648)
PDB
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n/an/a 61n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2617-2621 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.037
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255485
PNG
(US9499493, R926816)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCCOc4c3)n2)c1
Show InChI InChI=1S/C21H20FN5O4/c1-23-19(28)12-31-15-4-2-3-13(9-15)26-21-24-11-16(22)20(27-21)25-14-5-6-17-18(10-14)30-8-7-29-17/h2-6,9-11H,7-8,12H2,1H3,(H,23,28)(H2,24,25,26,27)
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n/an/a 61.5n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair
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