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11 similar compounds to monomer 103727

Compile data set for download or QSAR
Wt: 389.4
BDBM128101
Purchase
Wt: 377.4
BDBM103728
Wt: 390.4
BDBM103732
Wt: 375.4
BDBM103733
Wt: 418.4
BDBM103734
Wt: 418.4
BDBM103735
Wt: 439.4
BDBM103736
Wt: 411.4
BDBM103737
Wt: 425.5
BDBM50031740
Wt: 403.3
BDBM50031738
Wt: 278.3
BDBM50031762

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 128101,103728,103732,103733,103734,103735,103736,103737,50031740,50031738,50031762   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 50.9n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031762
PNG
(CHEMBL3360332)
Show SMILES O=C(Nc1nc2cccc(-c3ccccc3)n2n1)C1CC1
Show InChI InChI=1S/C16H14N4O/c21-15(12-9-10-12)18-16-17-14-8-4-7-13(20(14)19-16)11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,18,19,21)
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PubMed
n/an/a 184n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103732
PNG
(US8563545, 6)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)
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n/an/a 3.45E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103733
PNG
(US8563545, 7)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCCCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C22H25N5O/c28-21(18-11-12-18)24-22-23-20-6-4-5-19(27(20)25-22)17-9-7-16(8-10-17)15-26-13-2-1-3-14-26/h4-10,18H,1-3,11-15H2,(H,24,25,28)
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n/an/a 504n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103734
PNG
(US8563545, 8)
Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(H2,24,30)(H,26,27,31)
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n/an/a 435n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103735
PNG
(US8563545, 9)
Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C23H26N6O2/c1-16(30)28-13-11-27(12-14-28)15-17-5-7-18(8-6-17)20-3-2-4-21-24-23(26-29(20)21)25-22(31)19-9-10-19/h2-8,19H,9-15H2,1H3,(H,25,26,31)
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n/an/a 334n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103736
PNG
(US8563545, 10)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)n2n1)C1CC1
Show InChI InChI=1S/C21H21N5O4S/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
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n/an/a 18.2n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 7.69n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 38.7n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 152n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 185n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103732
PNG
(US8563545, 6)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)
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n/an/a 5.07E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103733
PNG
(US8563545, 7)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCCCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C22H25N5O/c28-21(18-11-12-18)24-22-23-20-6-4-5-19(27(20)25-22)17-9-7-16(8-10-17)15-26-13-2-1-3-14-26/h4-10,18H,1-3,11-15H2,(H,24,25,28)
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n/an/a 6.45E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103734
PNG
(US8563545, 8)
Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(H2,24,30)(H,26,27,31)
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n/an/a 7.73E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103734
PNG
(US8563545, 8)
Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C23H26N6O2/c24-21(30)17-10-12-28(13-11-17)14-15-4-6-16(7-5-15)19-2-1-3-20-25-23(27-29(19)20)26-22(31)18-8-9-18/h1-7,17-18H,8-14H2,(H2,24,30)(H,26,27,31)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103735
PNG
(US8563545, 9)
Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C23H26N6O2/c1-16(30)28-13-11-27(12-14-28)15-17-5-7-18(8-6-17)20-3-2-4-21-24-23(26-29(20)21)25-22(31)19-9-10-19/h2-8,19H,9-15H2,1H3,(H,25,26,31)
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n/an/a 849n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103736
PNG
(US8563545, 10)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)n2n1)C1CC1
Show InChI InChI=1S/C21H21N5O4S/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
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n/an/a 65.4n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 15.5n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 195n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 126n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM128101
PNG
(US8796457, 1 | US9505754, 1)
Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 6.60n/an/an/an/an/a25



Galapagos NV

US Patent


Assay Description
Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with...


US Patent US8796457 (2014)


BindingDB Entry DOI: 10.7270/Q2XK8D70
More data for this
Ligand-Target Pair
JAK1 (aa866-1154)


(Homo sapiens (Human))
BDBM128101
PNG
(US8796457, 1 | US9505754, 1)
Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 6.60n/an/an/an/an/a25



GALAPAGOS NV

US Patent


Assay Description
Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with...


US Patent US9505754 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM128101
PNG
(US8796457, 1 | US9505754, 1)
Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 67n/an/an/an/an/a25



GALAPAGOS NV

US Patent


Assay Description
Recombinant human JAK2 (catalytic domain, amino acids 866-1154; catalog number PV4210) was purchased from Invitrogen. 0.0125 mU of JAK2 was incubated...


US Patent US9505754 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM128101
PNG
(US8796457, 1 | US9505754, 1)
Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 408n/an/an/an/a7.530



GALAPAGOS NV

US Patent


Assay Description
Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated w...


US Patent US9505754 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM128101
PNG
(US8796457, 1 | US9505754, 1)
Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 219n/an/an/an/a7.530



GALAPAGOS NV

US Patent


Assay Description
Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubate...


US Patent US9505754 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human whole blood assessed as inhibition of GM-CSF-induced pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50031738
PNG
(CHEMBL3360355)
Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human whole blood assessed as inhibition of GM-CSF-induced pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human whole blood assessed as inhibition of GM-CSF-induced pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human whole blood assessed as inhibition of GM-CSF-induced pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031738
PNG
(CHEMBL3360355)
Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28)
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n/an/a 4.47E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27)
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n/an/a 6.15E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 92n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103732
PNG
(US8563545, 6)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)
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n/an/a>4.00E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031738
PNG
(CHEMBL3360355)
Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28)
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n/an/a 16n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 27n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27)
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n/an/a 41n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US8563545, 2)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 52.1n/an/an/an/an/an/a



Galapagos NV

US Patent


Assay Description
In vitro inhibition assay using various enzyme.


US Patent US8563545 (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D1X
More data for this
Ligand-Target Pair