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Compile Data Set for Download or QSAR

Found 709 hits with Last Name = 'dong' and Initial = 'q'   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50285024
PNG
(3-[3-(4-Carbamimidoyl-benzoylamino)-propionylamino...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C24H27N5O8/c25-21(26)14-3-5-15(6-4-14)22(34)27-10-9-19(31)28-17(12-20(32)33)23(35)29-18(24(36)37)11-13-1-7-16(30)8-2-13/h1-8,17-18,30H,9-12H2,(H3,25,26)(H,27,34)(H,28,31)(H,29,35)(H,32,33)(H,36,37)/t17-,18+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SKF-107260 from alpha IIb beta3 integrin


Bioorg Med Chem Lett 5: 1941-1946 (1995)


Article DOI: 10.1016/0960-894X(95)00329-R
BindingDB Entry DOI: 10.7270/Q2Z60P2J
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50285023
PNG
((R)-3-[3-(4-Carbamimidoyl-benzoylamino)-propionyla...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C26H28N6O7/c27-23(28)14-5-7-15(8-6-14)24(36)29-10-9-21(33)31-19(12-22(34)35)25(37)32-20(26(38)39)11-16-13-30-18-4-2-1-3-17(16)18/h1-8,13,19-20,30H,9-12H2,(H3,27,28)(H,29,36)(H,31,33)(H,32,37)(H,34,35)(H,38,39)/t19-,20+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SKF-107260 from alpha IIb beta3 integrin


Bioorg Med Chem Lett 5: 1941-1946 (1995)


Article DOI: 10.1016/0960-894X(95)00329-R
BindingDB Entry DOI: 10.7270/Q2Z60P2J
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59098
PNG
(Bi-ligand, 1)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-
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26n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59099
PNG
(Bi-ligand, 2)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-
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42n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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100n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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202n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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620n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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7.90E+3n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59099
PNG
(Bi-ligand, 2)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-
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1.00E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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1.20E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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>2.50E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Dihydrodipicolinate reductase (DHPR)


(Escherichia coli)
BDBM59099
PNG
(Bi-ligand, 2)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-
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>5.00E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59098
PNG
(Bi-ligand, 1)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-
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>5.00E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
D-lactate dehydrogenase


(Escherichia coli)
BDBM59098
PNG
(Bi-ligand, 1)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-
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5.50E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260478
PNG
(US9527851, 125 | US9527851, 49 | US9527851, exampl...)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C20H24N8OS/c1-27(18-15-4-5-21-17(15)22-10-23-18)14-6-12-8-28(9-13(12)7-14)20(29)25-19-24-16(26-30-19)11-2-3-11/h4-5,10-14H,2-3,6-9H2,1H3,(H,21,22,23)(H,24,25,26,29)/t12-,13+,14+
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n/an/a 0.200n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260459
PNG
(US9527851, 17 | US9527851, example 17)
Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H23N5O2/c1-10(23)17(24)22-7-11-5-13(6-12(11)8-22)21(2)16-14-3-4-18-15(14)19-9-20-16/h3-4,9-13,23H,5-8H2,1-2H3,(H,18,19,20)/t10-,11-,12+,13+/s2
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n/an/a 0.200n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260478
PNG
(US9527851, 125 | US9527851, 49 | US9527851, exampl...)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C20H24N8OS/c1-27(18-15-4-5-21-17(15)22-10-23-18)14-6-12-8-28(9-13(12)7-14)20(29)25-19-24-16(26-30-19)11-2-3-11/h4-5,10-14H,2-3,6-9H2,1H3,(H,21,22,23)(H,24,25,26,29)/t12-,13+,14+
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n/an/a 0.200n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260478
PNG
(US9527851, 125 | US9527851, 49 | US9527851, exampl...)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C20H24N8OS/c1-27(18-15-4-5-21-17(15)22-10-23-18)14-6-12-8-28(9-13(12)7-14)20(29)25-19-24-16(26-30-19)11-2-3-11/h4-5,10-14H,2-3,6-9H2,1H3,(H,21,22,23)(H,24,25,26,29)/t12-,13+,14+
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n/an/a 0.200n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260478
PNG
(US9527851, 125 | US9527851, 49 | US9527851, exampl...)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(ns1)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C20H24N8OS/c1-27(18-15-4-5-21-17(15)22-10-23-18)14-6-12-8-28(9-13(12)7-14)20(29)25-19-24-16(26-30-19)11-2-3-11/h4-5,10-14H,2-3,6-9H2,1H3,(H,21,22,23)(H,24,25,26,29)/t12-,13+,14+
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n/an/a 0.200n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260459
PNG
(US9527851, 17 | US9527851, example 17)
Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H23N5O2/c1-10(23)17(24)22-7-11-5-13(6-12(11)8-22)21(2)16-14-3-4-18-15(14)19-9-20-16/h3-4,9-13,23H,5-8H2,1-2H3,(H,18,19,20)/t10-,11-,12+,13+/s2
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n/an/a 0.200n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260502
PNG
(US9527851, 99)
Show SMILES CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C21H28N8O3S/c1-21(2,31)10-32-18-25-19(33-27-18)26-20(30)29-8-12-6-14(7-13(12)9-29)28(3)17-15-4-5-22-16(15)23-11-24-17/h4-5,11-14,31H,6-10H2,1-3H3,(H,22,23,24)(H,25,26,27,30)/t12-,13+,14?
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n/an/a 0.300n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202489
PNG
(US9527851, example 99)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Oc1nc(OCC(C)(C)O)ns1)c1ncnc2[nH]ccc12 |r|
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n/an/a 0.300n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM260459
PNG
(US9527851, 17 | US9527851, example 17)
Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H23N5O2/c1-10(23)17(24)22-7-11-5-13(6-12(11)8-22)21(2)16-14-3-4-18-15(14)19-9-20-16/h3-4,9-13,23H,5-8H2,1-2H3,(H,18,19,20)/t10-,11-,12+,13+/s2
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n/an/a 0.300n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM260459
PNG
(US9527851, 17 | US9527851, example 17)
Show SMILES C[C@H](O)C(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)N(C)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H23N5O2/c1-10(23)17(24)22-7-11-5-13(6-12(11)8-22)21(2)16-14-3-4-18-15(14)19-9-20-16/h3-4,9-13,23H,5-8H2,1-2H3,(H,18,19,20)/t10-,11-,12+,13+/s2
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n/an/a 0.300n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204291
PNG
(CHEMBL3953104)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r|
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Takeda California, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202338
PNG
((3ar,5s,6as)-n-(3-(hydroxymethyl)-1,2,4-thiadiazol...)
Show SMILES COC(=O)c1nsc(NC(=O)N2C[C@@H]3CC(C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
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n/an/a 0.5n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260479
PNG
(US9527851, 50)
Show SMILES CN(C1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(CO)ns1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C18H22N8O2S/c1-25(16-13-2-3-19-15(13)20-9-21-16)12-4-10-6-26(7-11(10)5-12)18(28)23-17-22-14(8-27)24-29-17/h2-3,9-12,27H,4-8H2,1H3,(H,19,20,21)(H,22,23,24,28)/t10-,11+,12?
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n/an/a 0.5n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204296
PNG
(CHEMBL3941633)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3CNC(=O)c23)c1 |r|
PDB
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Takeda California, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50204292
PNG
(CHEMBL3916444)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3CNC(=O)c23)c1 |r|
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Takeda California, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260475
PNG
(US9527851, 147 | US9527851, 40 | US9527851, exampl...)
Show SMILES CN([C@H]1C[C@H]2CNC(=O)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C15H19N5O/c1-20(15-12-2-3-16-14(12)18-8-19-15)11-4-9-6-13(21)17-7-10(9)5-11/h2-3,8-11H,4-7H2,1H3,(H,17,21)(H,16,18,19)/t9-,10+,11-/s2
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n/an/a 1n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260477
PNG
(US9527851, 121 | US9527851, 48 | US9527851, exampl...)
Show SMILES CCc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C19H24N8OS/c1-3-15-23-18(29-25-15)24-19(28)27-8-11-6-13(7-12(11)9-27)26(2)17-14-4-5-20-16(14)21-10-22-17/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,21,22)(H,23,24,25,28)/t11-,12+,13+
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n/an/a 1n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260475
PNG
(US9527851, 147 | US9527851, 40 | US9527851, exampl...)
Show SMILES CN([C@H]1C[C@H]2CNC(=O)C[C@H]2C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C15H19N5O/c1-20(15-12-2-3-16-14(12)18-8-19-15)11-4-9-6-13(21)17-7-10(9)5-11/h2-3,8-11H,4-7H2,1H3,(H,17,21)(H,16,18,19)/t9-,10+,11-/s2
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n/an/a 1n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260477
PNG
(US9527851, 121 | US9527851, 48 | US9527851, exampl...)
Show SMILES CCc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C19H24N8OS/c1-3-15-23-18(29-25-15)24-19(28)27-8-11-6-13(7-12(11)9-27)26(2)17-14-4-5-20-16(14)21-10-22-17/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,21,22)(H,23,24,25,28)/t11-,12+,13+
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n/an/a 1n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202503
PNG
(US9527851, example 121)
Show SMILES CCc1nsc(OC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
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n/an/a 1n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260477
PNG
(US9527851, 121 | US9527851, 48 | US9527851, exampl...)
Show SMILES CCc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C19H24N8OS/c1-3-15-23-18(29-25-15)24-19(28)27-8-11-6-13(7-12(11)9-27)26(2)17-14-4-5-20-16(14)21-10-22-17/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,21,22)(H,23,24,25,28)/t11-,12+,13+
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n/an/a 1n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204293
PNG
(CHEMBL3983415)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r|
PDB
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n/an/a 1.10n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286070
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1cccc(c1)C(F)(F)F
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n/an/a 1.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent




US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109275
PNG
(US8609622, 2)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r|
Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1
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n/an/a 1.42n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM109278
PNG
(US8609622, 5)
Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc3OCCc3c2)c1 |r|
Show InChI InChI=1S/C22H23ClO7/c23-16-3-2-15(9-14(16)8-12-1-4-17-13(7-12)5-6-28-17)22-20(27)18(25)19(26)21(10-24,30-22)11-29-22/h1-4,7,9,18-20,24-27H,5-6,8,10-11H2/t18-,19-,20+,21+,22?/m0/s1
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n/an/a 1.49n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
Inhibitory activity of the compounds using SGLT1 and SGLT2.


US Patent US8609622 (2013)


BindingDB Entry DOI: 10.7270/Q2BC3X6H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260469
PNG
(US9527851, 34 | US9527851, example 34)
Show SMILES COc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12+
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US Patent
n/an/a 2n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260508
PNG
(US9527851, 114 | US9527851, example 114)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(C)ns1)c1ccnc2[nH]ccc12 |r|
Show InChI InChI=1/C19H23N7OS/c1-11-22-18(28-24-11)23-19(27)26-9-12-7-14(8-13(12)10-26)25(2)16-4-6-21-17-15(16)3-5-20-17/h3-6,12-14H,7-10H2,1-2H3,(H,20,21)(H,22,23,24,27)/t12-,13+,14+
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US Patent
n/an/a 2n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260508
PNG
(US9527851, 114 | US9527851, example 114)
Show SMILES CN([C@@H]1C[C@H]2CN(C[C@H]2C1)C(=O)Nc1nc(C)ns1)c1ccnc2[nH]ccc12 |r|
Show InChI InChI=1/C19H23N7OS/c1-11-22-18(28-24-11)23-19(27)26-9-12-7-14(8-13(12)10-26)25(2)16-4-6-21-17-15(16)3-5-20-17/h3-6,12-14H,7-10H2,1-2H3,(H,20,21)(H,22,23,24,27)/t12-,13+,14+
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US Patent
n/an/a 2n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM260518
PNG
(US9527851, 135 | US9527851, example 135)
Show SMILES CN(C[C@H]1[C@@H]2CN(C[C@H]12)C(=O)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H21N5O/c1-21(16-11-4-5-18-15(11)19-9-20-16)6-12-13-7-22(8-14(12)13)17(23)10-2-3-10/h4-5,9-10,12-14H,2-3,6-8H2,1H3,(H,18,19,20)/t12-,13-,14+
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n/an/a 2n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM260469
PNG
(US9527851, 34 | US9527851, example 34)
Show SMILES COc1nsc(NC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1 |r|
Show InChI InChI=1/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12+
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n/an/a 2n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM260518
PNG
(US9527851, 135 | US9527851, example 135)
Show SMILES CN(C[C@H]1[C@@H]2CN(C[C@H]12)C(=O)C1CC1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1/C17H21N5O/c1-21(16-11-4-5-18-15(11)19-9-20-16)6-12-13-7-22(8-14(12)13)17(23)10-2-3-10/h4-5,9-10,12-14H,2-3,6-8H2,1H3,(H,18,19,20)/t12-,13-,14+
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US Patent
n/an/a 2n/an/an/an/a7.327



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 2n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286069
PNG
(2-Chloro-N-(3-oxo-2-(4-(trifluoromethyl)phenyl)iso...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(cc1)C(F)(F)F
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US Patent
n/an/a 2.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent




US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286047
PNG
((R)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F |r|
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US Patent
n/an/a 2.24n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent




US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204295
PNG
(CHEMBL3944381)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1C#N |r|
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n/an/a 2.30n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286034
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-(trifluoromethy...)
Show SMILES CCn1ccc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12
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US Patent
n/an/a 2.68n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent




US Patent US10081629 (2018)


BindingDB Entry DOI: 10.7270/Q20K2BMF
More data for this
Ligand-Target Pair
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