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PubMed code 25369270

Compile data set for download or QSAR
Found 93 hits of Enzyme Inhibition Constant Data   
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 JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031743
PNG
(CHEMBL3360349)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccn(n3)-c3ccccc3)n2n1)C1CC1
Show InChI InChI=1S/C28H25N7O2/c36-26(29-17-15-22-16-18-34(32-22)23-5-2-1-3-6-23)20-11-9-19(10-12-20)24-7-4-8-25-30-28(33-35(24)25)31-27(37)21-13-14-21/h1-12,16,18,21H,13-15,17H2,(H,29,36)(H,31,33,37)
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n/an/a 0.600n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.800n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 1.20n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031745
PNG
(CHEMBL3360351 | US10206907, Compound 225)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C25H22N6O/c26-15-14-18-4-1-2-5-21(18)27-16-17-8-10-19(11-9-17)22-6-3-7-23-28-25(30-31(22)23)29-24(32)20-12-13-20/h1-11,20,27H,12-14,16H2,(H,29,30,32)
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n/an/a 1.40n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031760
PNG
(CHEMBL3360330)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(NC(C)=O)cc3)nn12
Show InChI InChI=1S/C21H19N5O2/c1-14(27)22-16-8-10-17(11-9-16)23-21-24-20-5-3-4-19(26(20)25-21)15-6-12-18(28-2)13-7-15/h3-13H,1-2H3,(H,22,27)(H,23,25)
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n/an/a 2.80n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031744
PNG
(CHEMBL3360350)
Show SMILES OCc1cc(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)ccc1O
Show InChI InChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31)
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n/an/a 8.30n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 10n/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
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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031742
PNG
(CHEMBL3360348 | US10206907, Compound 59)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)
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n/an/a 23n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US10206907, Compound 234 | 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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031804
PNG
(CHEMBL3360341)
Show SMILES CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-10-8-12(9-11-14)15-4-3-5-16-19-18(21-22(15)16)20-17(23)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,20,21,23)
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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
More data for this
Ligand-Target Pair
Jak1 protein


(Rattus norvegicus)
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 29n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of rat JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357 | US10206907, Compound 304)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031806
PNG
(CHEMBL3360343)
Show SMILES CCOc1ccc(cc1)-c1cccn2nc(NC(=O)C3CC3)nc12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-9-7-12(8-10-14)15-4-3-11-22-16(15)19-18(21-22)20-17(23)13-5-6-13/h3-4,7-11,13H,2,5-6H2,1H3,(H,20,21,23)
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n/an/a 67n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 70n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 74n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US10206907, Compound 18 | 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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031802
PNG
(CHEMBL3360339 | US10206907, Compound 14)
Show SMILES O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1
Show InChI InChI=1S/C23H20N4O2/c28-22(17-12-13-17)25-23-24-21-11-5-10-20(27(21)26-23)18-8-4-9-19(14-18)29-15-16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,25,26,28)
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n/an/a 103n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 138n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50438696
PNG
(CHEMBL2414557)
Show SMILES Clc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22)
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n/an/a 142n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031746
PNG
(CHEMBL3360352)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(COc4ccc(cc4)C#N)C3)n2n1)C1CC1
Show InChI InChI=1S/C27H24N6O2/c28-14-18-4-12-23(13-5-18)35-17-19-15-32(16-19)22-10-8-20(9-11-22)24-2-1-3-25-29-27(31-33(24)25)30-26(34)21-6-7-21/h1-5,8-13,19,21H,6-7,15-17H2,(H,30,31,34)
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n/an/a 147n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50438695
PNG
(CHEMBL2414558)
Show SMILES Clc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22)
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n/an/a 156n/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
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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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
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 274n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human FLT4 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031737
PNG
(CHEMBL3360840)
Show SMILES Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1
Show InChI InChI=1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20)
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n/an/a 307n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 338n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031763
PNG
(CHEMBL3360333)
Show SMILES COc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-14-7-3-2-5-12(14)13-6-4-8-15-18-17(20-21(13)15)19-16(22)11-9-10-11/h2-8,11H,9-10H2,1H3,(H,19,20,22)
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n/an/a 371n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031758
PNG
(CHEMBL3360328)
Show SMILES CNC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1
Show InChI InChI=1S/C15H15N5O2/c1-16-15(21)18-14-17-13-5-3-4-12(20(13)19-14)10-6-8-11(22-2)9-7-10/h3-9H,1-2H3,(H2,16,18,19,21)
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n/an/a 413n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031807
PNG
(CHEMBL3360344)
Show SMILES CCOc1ccc(cc1)-c1nccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)15-18-10-9-14-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23)
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n/an/a 418n/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
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 489n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 519n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 528n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031765
PNG
(CHEMBL3360335)
Show SMILES COc1ccc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H15N5O2/c1-23-14-8-7-11(9-17-14)12-3-2-4-13-18-16(20-21(12)13)19-15(22)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,19,20,22)
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n/an/a 547n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031768
PNG
(CHEMBL3360338)
Show SMILES COCc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C18H18N4O2/c1-24-11-12-4-2-5-14(10-12)15-6-3-7-16-19-18(21-22(15)16)20-17(23)13-8-9-13/h2-7,10,13H,8-9,11H2,1H3,(H,20,21,23)
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n/an/a 572n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 629n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 740n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031766
PNG
(CHEMBL3360336)
Show SMILES COc1ncc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C15H14N6O2/c1-23-15-16-7-10(8-17-15)11-3-2-4-12-18-14(20-21(11)12)19-13(22)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,19,20,22)
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n/an/a 975n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 1.05E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031767
PNG
(CHEMBL3360337)
Show SMILES O=C(Nc1nc2cccc(-c3cn[nH]c3)n2n1)C1CC1
Show InChI InChI=1S/C13H12N6O/c20-12(8-4-5-8)17-13-16-11-3-1-2-10(19(11)18-13)9-6-14-15-7-9/h1-3,6-8H,4-5H2,(H,14,15)(H,17,18,20)
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n/an/a 1.35E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031761
PNG
(CHEMBL3360331)
Show SMILES CCC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1
Show InChI InChI=1S/C16H16N4O2/c1-3-15(21)18-16-17-14-6-4-5-13(20(14)19-16)11-7-9-12(22-2)10-8-11/h4-10H,3H2,1-2H3,(H,18,19,21)
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n/an/a 1.98E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031764
PNG
(CHEMBL3360334)
Show SMILES O=C(Nc1nc2cccc(-c3cccc4ncccc34)n2n1)C1CC1
Show InChI InChI=1S/C19H15N5O/c25-18(12-9-10-12)22-19-21-17-8-2-7-16(24(17)23-19)14-4-1-6-15-13(14)5-3-11-20-15/h1-8,11-12H,9-10H2,(H,22,23,25)
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n/an/a 2.55E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US10206907, Compound 234 | 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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031805
PNG
(CHEMBL3360342)
Show SMILES CCOc1ccc(cc1)-c1c(OC)ccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H20N4O3/c1-3-26-14-8-6-12(7-9-14)17-15(25-2)10-11-16-20-19(22-23(16)17)21-18(24)13-4-5-13/h6-11,13H,3-5H2,1-2H3,(H,21,22,24)
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n/an/a 3.01E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031748
PNG
(CHEMBL3360319)
Show SMILES COc1ccc(cc1)-c1cccc2nc(N)nn12
Show InChI InChI=1S/C13H12N4O/c1-18-10-7-5-9(6-8-10)11-3-2-4-12-15-13(14)16-17(11)12/h2-8H,1H3,(H2,14,16)
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n/an/a 3.06E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031741
PNG
(CHEMBL3360347)
Show SMILES CCOc1ccc(cc1)-c1cncc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H17N5O2/c1-2-24-13-7-5-11(6-8-13)14-9-18-10-15-19-17(21-22(14)15)20-16(23)12-3-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,23)
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n/an/a 3.10E+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
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of PYK2 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 3.52E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in IL3-induced human TF1 cells assessed as pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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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 TBK1 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031754
PNG
(CHEMBL3360324)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(C)=O)nn12
Show InChI InChI=1S/C15H14N4O2/c1-10(20)16-15-17-14-5-3-4-13(19(14)18-15)11-6-8-12(21-2)9-7-11/h3-9H,1-2H3,(H,16,18,20)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103732
PNG
(US10206907, Compound 130 | 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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 4.55E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in IL3-induced human BaF3 cells assessed as cell proliferation


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 4.98E+3n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US10206907, Compound 18 | 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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031752
PNG
(CHEMBL3352896)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NS(=O)(=O)C3CC3)nn12
Show InChI InChI=1S/C16H16N4O3S/c1-23-12-7-5-11(6-8-12)14-3-2-4-15-17-16(18-20(14)15)19-24(21,22)13-9-10-13/h2-8,13H,9-10H2,1H3,(H,18,19)
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n/an/a 5.74E+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
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a>5.74E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357 | US10206907, Compound 304)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1/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
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 7.11E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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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 p38alpha (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031759
PNG
(CHEMBL3360329)
Show SMILES COc1ccc(cc1)-c1cccc2nc(nn12)-c1cccnc1
Show InChI InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-5-2-6-17-20-18(21-22(16)17)14-4-3-11-19-12-14/h2-12H,1H3
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031753
PNG
(CHEMBL3360323)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C(C)C)nn12
Show InChI InChI=1S/C17H18N4O2/c1-11(2)16(22)19-17-18-15-6-4-5-14(21(15)20-17)12-7-9-13(23-3)10-8-12/h4-11H,1-3H3,(H,19,20,22)
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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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 TAK1 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031757
PNG
(CHEMBL3360327)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NCC3CC3)nn12
Show InChI InChI=1S/C17H18N4O/c1-22-14-9-7-13(8-10-14)15-3-2-4-16-19-17(20-21(15)16)18-11-12-5-6-12/h2-4,7-10,12H,5-6,11H2,1H3,(H,18,20)
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031751
PNG
(CHEMBL3360322)
Show SMILES COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C(=O)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-21(17(23)13-6-7-13)18-19-16-5-3-4-15(22(16)20-18)12-8-10-14(24-2)11-9-12/h3-5,8-11,13H,6-7H2,1-2H3
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031750
PNG
(CHEMBL3360321)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3(C)CC3)nn12
Show InChI InChI=1S/C18H18N4O2/c1-18(10-11-18)16(23)20-17-19-15-5-3-4-14(22(15)21-17)12-6-8-13(24-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,21,23)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031803
PNG
(CHEMBL3360340)
Show SMILES CC(C)(C)OCc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)27-13-15-7-4-5-8-16(15)17-9-6-10-18-22-20(24-25(17)18)23-19(26)14-11-12-14/h4-10,14H,11-13H2,1-3H3,(H,23,24,26)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031749
PNG
(CHEMBL3360320)
Show SMILES COc1ccc(cc1)-c1cccc2nc(nn12)N(C)C
Show InChI InChI=1S/C15H16N4O/c1-18(2)15-16-14-6-4-5-13(19(14)17-15)11-7-9-12(20-3)10-8-11/h4-10H,1-3H3
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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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 PRL-induced human 22Rv1 cells assessed as pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031756
PNG
(CHEMBL3360326)
Show SMILES COc1ccc(cc1)-c1cccc2nc(nn12)N1CCCCC1
Show InChI InChI=1S/C18H20N4O/c1-23-15-10-8-14(9-11-15)16-6-5-7-17-19-18(20-22(16)17)21-12-3-2-4-13-21/h5-11H,2-4,12-13H2,1H3
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031755
PNG
(CHEMBL3360325)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)c3ccccc3)nn12
Show InChI InChI=1S/C20H16N4O2/c1-26-16-12-10-14(11-13-16)17-8-5-9-18-21-20(23-24(17)18)22-19(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,23,25)
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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 human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103737
PNG
(US10206907, Compound 234 | 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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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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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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 EPO-induced human UT7-EPO cells assessed as pSTAT5


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031737
PNG
(CHEMBL3360840)
Show SMILES Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1
Show InChI InChI=1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20)
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n/an/a 1.19E+4n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 1.75E+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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 2.47E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM103728
PNG
(US10206907, Compound 18 | 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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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
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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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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357 | US10206907, Compound 304)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1/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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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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a>7.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a>7.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a>7.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a>7.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 57: 9323-42 (2014)


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


(Homo sapiens (Human))
BDBM50031737
PNG
(CHEMBL3360840)
Show SMILES Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1
Show InChI InChI=1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20)
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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
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/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)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by patch clamp assay


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%