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Compile Data Set for Download or QSAR

Found 3275 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2'   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
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0.0800n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10208040 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277400
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10208040 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350095
PNG
(US10208040, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C |r|
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10208040 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120141
PNG
(US8697708, 224)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2[N+]#[C-])ncn1
Show InChI InChI=1S/C18H9FN8S/c1-22-11-4-2-3-10(19)14(11)18-27-15-9(6-20)7-23-17(16(15)28-18)26-13-5-12(21)24-8-25-13/h2-5,7-8H,(H3,21,23,24,25,26)
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0.300 -53.8n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120132
PNG
(US8697708, 18)
Show SMILES OCc1ccnc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C18H12Cl2N4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24)
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0.300 -53.8n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM333120
PNG
((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r|
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0.320n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10196393 (2019)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350090
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r|
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0.400n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10208040 (2019)


Article DOI: 10.1021/jm060199b
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM333122
PNG
((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(2-(6...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
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0.400n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10196393 (2019)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120140
PNG
(US8697708, 223)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2Cl)ncn1
Show InChI InChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25)
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0.400 -53.1n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120143
PNG
(US8697708, 236)
Show SMILES Cc1nc(CO)cc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2[N+]#[C-])n1
Show InChI InChI=1S/C19H13ClN6OS/c1-10-23-11(9-27)8-15(24-10)26-18-17-14(6-7-22-18)25-19(28-17)16-12(20)4-3-5-13(16)21-2/h3-8,27H,9H2,1H3,(H,22,23,24,26)
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0.5 -52.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120128
PNG
(US8697708, 2)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1
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)
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0.5 -52.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(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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0.5n/an/an/an/an/an/an/an/a



Genentech

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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277491
PNG
(US10072026, Example 2-27)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCCC#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277492
PNG
(US10072026, Example 2-28)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccc(nc3)C#N)n2)n[nH]1 |r,TLB:24:23:15.22.16:20.18.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277493
PNG
(US10072026, Example 2-29)
Show SMILES CC(CC#N)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277398
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-N5-((1R,3s,5S)-9-(ph...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277399
PNG
(N5-((1R,3s,5S)-9-(ethylsulfonyl)-9-azabicyclo[3.3....)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:2:5:12.11.13:7.9.8|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277402
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277403
PNG
(N5-((1R,3s,5S)-9-((5-fluoropyridin-3-yl)sulfonyl)-...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1 |r,TLB:24:23:15.22.16:18.20.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277599
PNG
(US10072026, Example 6-18)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2c1 |r,TLB:26:25:22.21:18.24.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277601
PNG
(US10072026, Example 6-20)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277602
PNG
(US10072026, Example 6-21)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277603
PNG
(US10072026, Example 6-22)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CCC#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277604
PNG
(US10072026, Example 6-23)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3(CC3)C#N)c2c1 |r,TLB:26:25:22.21:18.24.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277501
PNG
(US10072026, Example 3-6)
Show SMILES CCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:3:5:12.11.13:9.7.8|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279850
PNG
(US10028960, Example 3-5)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1 |r,TLB:27:26:23.22.21:18.25.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279852
PNG
(US10028960, Example 3-7)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCCC1 |r,TLB:27:26:23.22.21:18.25.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279853
PNG
(US10028960, Example 3-8)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCC1 |r,TLB:27:26:23.22.21:18.25.19|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277505
PNG
(US10072026, Example 3-10)
Show SMILES CCCCOC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:7:14.13.15:11.9.10|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277510
PNG
(US10072026, Example 4-1)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277512
PNG
(US10072026, Example 4-3)
Show SMILES CC(C)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:10.9:13.12.14|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277516
PNG
(US10072026, Example 4-7)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C3(C)CC3)n2)n[nH]1 |r,TLB:23:22:19.18:15.21.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277517
PNG
(US10072026, Example 4-8)
Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:11.10:14.13.15|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277525
PNG
(US10072026, Example 4-16)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277526
PNG
(US10072026, Example 4-17)
Show SMILES CC(C)CS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277527
PNG
(US10072026, Example 4-18)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277528
PNG
(US10072026, Example 4-19)
Show SMILES COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:4:7:11.10.9:14.13.15|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277529
PNG
(US10072026, Example 4-20)
Show SMILES CCC1(CC1)S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:5:8:12.11.10:15.14.16|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277530
PNG
(US10072026, Example 4-21)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)C3CNC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277531
PNG
(US10072026, Example 4-22)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC=C)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277532
PNG
(US10072026, Example 4-23)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)CC3CC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277536
PNG
(US10072026, Example 4-27)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277537
PNG
(US10072026, Example 4-28)
Show SMILES CCCC1CCCN1S(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12 |r,TLB:8:11:15.14.13:18.17.19|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277538
PNG
(US10072026, Example 4-29)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CCC3)n2)n[nH]1 |r,TLB:24:23:20.19.18:15.22.16|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277539
PNG
(US10072026, Example 5-1)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277546
PNG
(US10072026, Example 5-8)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277547
PNG
(US10072026, Example 5-9)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:16:15:12.11:8.14.9|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277548
PNG
(US10072026, Example 5-10)
Show SMILES COc1ccc2c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)nc(Nc3cc(C)[nH]n3)cc2n1 |r,TLB:17:16:13.12.11:8.15.9|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277549
PNG
(US10072026, Example 5-11)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
PDB

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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
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