Found 57 hits of ic50 for UniProtKB: P23458 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50545650
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 in human A549 assessed as reduction in IL31-induced Stat3 phosphorylation preincubated for 30 mins followed by IL31 stimulati... |
J Med Chem 63: 7163-7185 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50355501
(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 | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50545650
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1 | PDB
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Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 in human PBMC assessed as reduction in IL6-induced Stat3 phosphorylation in CD3- CD4+ cells preincubated for 30 mins followed... |
J Med Chem 63: 7163-7185 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM159748
(US10966980, Example 2 | US9035074, 2)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)| | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IFNgamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFN... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/2 in human PBMC expressing CD14 assessed as inhibition of IFNgamma-induced STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2522-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.015
BindingDB Entry DOI: 10.7270/Q2BK1DRS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530394
(CHEMBL4561663)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530394
(CHEMBL4561663)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50433253
(CHEMBL2376143)Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1cn(C)c2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C23H20ClN7O2/c1-12(23(33)31-9-13(6-25)10-31)28-22(32)16-7-26-21-20(16)29-18(8-27-21)17-11-30(2)19-5-14(24)3-4-15(17)19/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,28,32)/t12-/m1/s1 | PDB
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Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530383
(CHEMBL4530719)Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530383
(CHEMBL4530719)Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM159748
(US10966980, Example 2 | US9035074, 2)Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(5.44,2.67,;3.95,2.27,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)| | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 ... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50426601
(CHEMBL2325895)Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1 | PDB
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Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT3 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT3 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50433254
(CHEMBL2376040)Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/m1/s1 | PDB
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Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 in in human whole blood assessed as decrease in IL6-induced STAT3 phosphorylation in CD3+ T cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT3 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM329924
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT3 phosphorylation preincuba... |
J Med Chem 61: 8597-8612 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50583442
(CHEMBL5077096)Show SMILES Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1 | PDB
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| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JAK1/JAK2 signalling in human PBMC assessed as inhibition of IL-27 stimulated phosphorylation of STAT3 preincubated for 60 mins followe... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01137
BindingDB Entry DOI: 10.7270/Q2KK9GQC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50572395
(CHEMBL4864387)Show SMILES Fc1cnc(Nc2ccc3n(ccc3c2)S(=O)(=O)C(F)(F)F)nc1-c1cnn(CCC#N)c1 | PDB
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| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation incubated for 60 mins fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01468
BindingDB Entry DOI: 10.7270/Q23N2750 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50433249
(CHEMBL2376147)Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C22H19FN8O2/c1-11(22(33)31-9-12(6-24)10-31)27-21(32)15-7-25-20-19(15)28-16(8-26-20)18-14-4-3-13(23)5-17(14)30(2)29-18/h3-5,7-8,11-12H,9-10H2,1-2H3,(H,25,26)(H,27,32)/t11-/m1/s1 | PDB
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| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM139694
(US8895544, 4)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1 Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38) | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 in human whole blood assessed as inhibition of IL-6 induced STAT3 phosphorylation preincubated for 45 mins followed by Il-6 a... |
J Med Chem 60: 767-786 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM305821
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | PDB
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| n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JAK1/JAK2 signaling pathway in human whole blood spiked with CD14 +ve cells assessed as reduction in IFN-gamma induced STAT1 phosphoryl... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00948
BindingDB Entry DOI: 10.7270/Q23N270R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50433247
(CHEMBL2376149)Show SMILES COc1ccc2c(nn(C)c2c1)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H22N8O3/c1-12(23(33)31-10-13(7-24)11-31)27-22(32)16-8-25-21-20(16)28-17(9-26-21)19-15-5-4-14(34-3)6-18(15)30(2)29-19/h4-6,8-9,12-13H,10-11H2,1-3H3,(H,25,26)(H,27,32)/t12-/m1/s1 | PDB
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| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50433240
(CHEMBL2376157)Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)ccc12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H17FN8O2/c1-11(21(32)29-7-12(4-23)8-29)27-20(31)14-5-24-19-17(14)28-15(6-25-19)18-16-3-2-13(22)9-30(16)10-26-18/h2-3,5-6,9-12H,7-8H2,1H3,(H,24,25)(H,27,31)/t11-/m1/s1 | PDB
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| n/a | n/a | 2.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche
Curated by ChEMBL
| Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation |
Bioorg Med Chem Lett 23: 2793-800 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530378
(CHEMBL4466720)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN6O2/c22-12-5-8-18(24-10-12)28-19-9-17(15(11-25-19)21(30)26-13-6-7-13)27-16-4-2-1-3-14(16)20(23)29/h1-5,8-11,13H,6-7H2,(H2,23,29)(H,26,30)(H2,24,25,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530391
(CHEMBL4444169)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530398
(CHEMBL4526283)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530386
(CHEMBL4537678)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Show InChI InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530381
(CHEMBL4516272)Show SMILES CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Show InChI InChI=1S/C20H19FN6O2/c1-27(2)20(29)14-11-24-18(26-17-8-7-12(21)10-23-17)9-16(14)25-15-6-4-3-5-13(15)19(22)28/h3-11H,1-2H3,(H2,22,28)(H2,23,24,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530378
(CHEMBL4466720)Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC1CC1 Show InChI InChI=1S/C21H19FN6O2/c22-12-5-8-18(24-10-12)28-19-9-17(15(11-25-19)21(30)26-13-6-7-13)27-16-4-2-1-3-14(16)20(23)29/h1-5,8-11,13H,6-7H2,(H2,23,29)(H,26,30)(H2,24,25,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530397
(CHEMBL4559521)Show SMILES CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Show InChI InChI=1S/C20H19FN6O2/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530381
(CHEMBL4516272)Show SMILES CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Show InChI InChI=1S/C20H19FN6O2/c1-27(2)20(29)14-11-24-18(26-17-8-7-12(21)10-23-17)9-16(14)25-15-6-4-3-5-13(15)19(22)28/h3-11H,1-2H3,(H2,22,28)(H2,23,24,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530397
(CHEMBL4559521)Show SMILES CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Show InChI InChI=1S/C20H19FN6O2/c1-2-23-20(29)14-11-25-18(27-17-8-7-12(21)10-24-17)9-16(14)26-15-6-4-3-5-13(15)19(22)28/h3-11H,2H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530398
(CHEMBL4526283)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50530391
(CHEMBL4444169)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay |
J Med Chem 62: 8953-8972 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ |
More data for this
Ligand-Target Pair | |
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