Found 840 hits with Last Name = 'blair' and Initial = 'ws' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK1
(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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| DrugBank
Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK1 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399014
(CHEMBL2178805)Show SMILES Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-11(19)7-12(10)16-14(9-25(2)24-16)22-18(27)13-8-21-26-6-5-15(20)23-17(13)26/h3-9H,1-2H3,(H2,20,23)(H,22,27) | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399015
(CHEMBL2178804)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H13Cl2N7O/c1-25-8-13(15(24-25)10-6-9(18)2-3-12(10)19)22-17(27)11-7-21-26-5-4-14(20)23-16(11)26/h2-8H,1H3,(H2,20,23)(H,22,27) | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase 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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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m... |
J Med Chem 55: 6176-93 (2012)
Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50434787
(CHEMBL2386635 | US10487083, Example C | US10703751...)Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(49.07,-5.95,;48.31,-7.29,;46.77,-7.3,;49.09,-8.62,;48.48,-10.02,;49.62,-11.04,;49.62,-12.58,;50.95,-13.35,;52.28,-12.58,;53.75,-13.05,;54.65,-11.81,;53.75,-10.56,;52.28,-11.04,;50.94,-10.26,;50.61,-8.77,;51.68,-7.66,;53.17,-8.05,;54.24,-6.95,;53.83,-5.47,;54.9,-4.37,;56.39,-4.75,;57.88,-5.12,;52.34,-5.09,;51.26,-6.19,)| Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(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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Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m... |
J Med Chem 55: 6176-93 (2012)
Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase 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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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261255
(CHEMBL4084436)Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C16H11Cl2N7/c17-8-2-1-3-9(18)13(8)15-23-10-4-5-20-16(14(10)25-15)24-12-6-11(19)21-7-22-12/h1-7H,(H,23,25)(H3,19,20,21,22,24) | PDB
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| PC cid
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| Article
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50434786
(CHEMBL2386636)Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(64.55,-7.04,;63.79,-8.38,;62.25,-8.39,;64.57,-9.71,;63.96,-11.11,;65.11,-12.13,;65.11,-13.67,;66.43,-14.44,;67.77,-13.67,;69.24,-14.14,;70.14,-12.89,;69.23,-11.65,;67.77,-12.13,;66.42,-11.35,;66.1,-9.86,;67.17,-8.75,;68.66,-9.14,;69.73,-8.04,;69.32,-6.55,;70.39,-5.46,;71.88,-5.84,;72.96,-4.73,;74.03,-3.63,;67.82,-6.17,;66.74,-7.28,)| Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1 | PDB
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Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM99582
(US8501936, 81)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(13-7-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399019
(CHEMBL2178801)Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399016
(CHEMBL2178803 | US8637526, 225)Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(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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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50391996
(CHEMBL2152300)Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r| Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 (unknown origin) |
Bioorg Med Chem Lett 23: 3592-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261268
(CHEMBL4062758)Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H12Cl2N6/c1-9-7-13(22-8-21-9)24-17-15-12(5-6-20-17)23-16(25-15)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24) | PDB
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438673
(CHEMBL2414535)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc12 Show InChI InChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399021
(CHEMBL2178799 | US8999998, 28)Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261256
(CHEMBL4071399)Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261261
(CHEMBL4075453)Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCCC3)c2[nH]1 Show InChI InChI=1S/C20H17Cl2N7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(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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Curated by ChEMBL
| Assay Description
Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m... |
J Med Chem 55: 6176-93 (2012)
Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438666
(CHEMBL2414542)Show SMILES CC(C)n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12 Show InChI InChI=1S/C19H18N6O2/c1-12(2)25-11-14(10-20-25)16-4-3-9-24-17(16)22-19(23-24)21-15-7-5-13(6-8-15)18(26)27/h3-12H,1-2H3,(H,21,23)(H,26,27) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438667
(CHEMBL2414541)Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H22N6O2/c29-21(30)15-8-10-17(11-9-15)24-22-25-20-19(7-4-12-27(20)26-22)16-13-23-28(14-16)18-5-2-1-3-6-18/h4,7-14,18H,1-3,5-6H2,(H,24,26)(H,29,30) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438670
(CHEMBL2414538)Show SMILES CC(C)Cn1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12 Show InChI InChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM120128
(US8697708, 2)Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(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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Curated by ChEMBL
| Assay Description
Inhibition of purified TYK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438668
(CHEMBL2414540)Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCC2)cc1 Show InChI InChI=1S/C21H20N6O2/c28-20(29)14-7-9-16(10-8-14)23-21-24-19-18(6-3-11-26(19)25-21)15-12-22-27(13-15)17-4-1-2-5-17/h3,6-13,17H,1-2,4-5H2,(H,23,25)(H,28,29) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402094
(CHEMBL2206639)Show SMILES CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2 Show InChI InChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50392011
(CHEMBL2152401)Show InChI InChI=1S/C16H18N6/c17-5-1-7-21-8-3-12(4-9-21)22-11-20-14-10-19-16-13(15(14)22)2-6-18-16/h2,6,10-12H,1,3-4,7-9H2,(H,18,19) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008
BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50441540
(CHEMBL2436944)Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1cn[nH]c1 |r| Show InChI InChI=1S/C16H15N7O/c17-6-9-2-1-3-12(9)21-15-11-4-5-18-16(24)13(11)22-14(23-15)10-7-19-20-8-10/h4-5,7-9,12H,1-3H2,(H,18,24)(H,19,20)(H,21,22,23)/t9-,12-/m1/s1 | PDB
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Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5923-30 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50399020
(CHEMBL2178800)Show SMILES Cc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H15ClN6O/c1-11-4-5-12(19)8-13(11)16-15(10-24(2)23-16)22-18(26)14-9-21-25-7-3-6-20-17(14)25/h3-10H,1-2H3,(H,22,26) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
Inhibition of purified JAK2 incubated for 30 mins |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261270
(CHEMBL4093872)Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCOCC3)c2[nH]1 Show InChI InChI=1S/C20H17Cl2N7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261274
(CHEMBL4062680)Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C18H12Cl2N8/c1-22-13-6-14(25-8-24-13)27-18-16-12(2-3-23-18)26-17(28-16)15-10(19)4-9(7-21)5-11(15)20/h2-6,8H,1H3,(H,26,28)(H2,22,23,24,25,27) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261276
(CHEMBL4092116)Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C17H10Cl2N8/c18-9-3-8(6-20)4-10(19)14(9)16-25-11-1-2-22-17(15(11)27-16)26-13-5-12(21)23-7-24-13/h1-5,7H,(H,25,27)(H3,21,22,23,24,26) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261260
(CHEMBL4069942)Show SMILES CN(C)c1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C18H15Cl2N7/c1-27(2)14-8-13(22-9-23-14)25-18-16-12(6-7-21-18)24-17(26-16)15-10(19)4-3-5-11(15)20/h3-9H,1-2H3,(H,24,26)(H,21,22,23,25) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261254
(CHEMBL4074130)Show InChI InChI=1S/C16H10Cl2N6/c17-9-2-1-3-10(18)13(9)15-22-11-4-7-20-16(14(11)24-15)23-12-5-6-19-8-21-12/h1-8H,(H,22,24)(H,19,20,21,23) | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438688
(CHEMBL2414544)Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438685
(CHEMBL2414549)Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12 Show InChI InChI=1S/C21H21N5O/c1-14(2)15-5-3-6-16(11-15)19-7-4-8-20-24-21(25-26(19)20)23-17-9-10-22-18(12-17)13-27/h3-12,14,27H,13H2,1-2H3,(H,22,23,25) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438674
(CHEMBL2414534)Show SMILES CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(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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Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261273
(CHEMBL4076947)Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261269
(CHEMBL4092191)Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ccn3)C#N)c2[nH]1 Show InChI InChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261257
(CHEMBL4099854)Show SMILES COc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H12Cl2N6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438671
(CHEMBL2414537)Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12 Show InChI InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase 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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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50434793
(CHEMBL2386629)Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:18.24,wD:15.17,1.1,(18.07,-50.72,;17.31,-52.06,;15.77,-52.07,;18.09,-53.39,;17.47,-54.79,;18.62,-55.81,;18.62,-57.35,;19.95,-58.12,;21.28,-57.35,;22.75,-57.82,;23.65,-56.58,;22.75,-55.33,;21.28,-55.81,;19.94,-55.03,;19.61,-53.54,;20.68,-52.43,;22.17,-52.82,;23.24,-51.72,;22.83,-50.23,;21.34,-49.85,;20.26,-50.96,;23.91,-49.13,;25.4,-49.52,;26.48,-48.41,;27.97,-48.8,;26.06,-46.93,;27.56,-47.31,)| Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50434782
(CHEMBL2386640)Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r| Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP |
J Med Chem 56: 4764-85 (2013)
Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50261283
(CHEMBL4093172)Show InChI InChI=1S/C17H12Cl2N2OS/c18-11-2-1-3-12(19)14(11)13-8-10-6-7-20-16(15(10)23-13)21-17(22)9-4-5-9/h1-3,6-9H,4-5H2,(H,20,21,22) | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50393757
(CHEMBL2159143)Show InChI InChI=1S/C17H20N6/c1-12-21-15-11-20-17-14(3-7-19-17)16(15)23(12)13-4-9-22(10-5-13)8-2-6-18/h3,7,11,13H,2,4-5,8-10H2,1H3,(H,19,20) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m... |
J Med Chem 55: 6176-93 (2012)
Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50438687
(CHEMBL2414546)Show SMILES COc1cccc(c1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 23: 5014-21 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2 |
More data for this
Ligand-Target Pair | |
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