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Compile Data Set for Download or QSAR

Found 5771 hits of ic50 for JAK2/TYK2
having polymerids = 4916 and
complexids = 50000451   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM569288
PNG
(US11427563, Compound 20 | US11427563, Compound 93)
Show SMILES O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
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n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JVK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489940
PNG
(US10966980, Example 194)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)|
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n/an/a 0.0770n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489982
PNG
(US10966980, Example 236)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cn(C)c(=O)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;3.61,1.91,;4.38,3.24,;5.92,3.24,;3.61,4.57,;4.38,5.91,;2.07,4.57,;1.3,3.24,;-.24,3.24,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)|
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n/an/a 0.0880n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM490009
PNG
(US10966980, Example 263)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3ccccc3C(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4.1,;3.34,2.77,;1.8,2.77,;.71,3.86,;-.38,2.77,;-1.92,2.77,;-2.69,1.44,;-1.36,.67,;-4.03,2.21,;-3.46,.1,;-5,.1,;-5.77,-1.23,;-7.31,-1.23,;-8.08,-2.56,;-7.31,-3.9,;-5.77,-3.9,;-5,-2.56,;-3.46,-2.56,;-3.46,-4.1,;-2.13,-3.33,;-2.69,-1.23,;.71,1.68,;4.11,1.44,;3.34,.1,;4.11,-1.23,;5.65,-1.23,;6.42,.1,;7.92,.42,;8.08,1.95,;6.68,2.58,;5.65,1.44,)|
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n/an/a 0.109n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM490011
PNG
(US10966980, Example 265)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCn3cccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-2.51,1.08,;-5.18,2.62,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-6.63,-3.61,;-5.39,-4.52,;-4.14,-3.61,;-4.62,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)|
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n/an/a 0.114n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489986
PNG
(US10966980, Example 240)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(=O)n(C)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;1.3,3.24,;2.07,4.57,;3.61,4.57,;4.38,5.91,;4.38,3.24,;5.92,3.24,;3.61,1.91,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)|
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n/an/a 0.135n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489977
PNG
(US10966980, Example 231)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
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n/an/a 0.153n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50243908
PNG
(CHEMBL4103586 | US10966980, Example 221)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccccc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(6.34,-12.52,;7.67,-13.29,;9,-12.51,;9.39,-11.02,;10.88,-11.41,;12.21,-10.64,;13.54,-11.4,;14.3,-12.73,;12.77,-12.72,;14.87,-10.63,;16.2,-11.41,;17.54,-10.64,;17.54,-9.1,;16.2,-8.33,;14.87,-9.1,;10.49,-12.9,;7.68,-14.82,;6.35,-15.59,;6.35,-17.14,;7.68,-17.91,;9.02,-17.13,;10.49,-17.6,;11.39,-16.34,;10.47,-15.1,;9.01,-15.59,)|
Show InChI InChI=1S/C18H20N4O2S/c1-22(18-16-7-8-19-17(16)20-12-21-18)14-9-13(10-14)11-25(23,24)15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,19,20,21)/t13-,14+
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n/an/a 0.168n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489985
PNG
(US10966980, Example 239)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)C2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.99,1.48,;-4.66,.71,;-3.32,1.48,;-2.92,2.97,;-1.44,2.57,;-.1,3.34,;1.23,2.57,;2,3.91,;.46,1.24,;2.56,1.8,;2.96,.32,;4.45,.71,;5.99,.71,;5.22,-.62,;4.05,2.2,;-1.84,1.09,;-4.66,-.83,;-5.99,-1.6,;-5.99,-3.14,;-4.66,-3.91,;-3.32,-3.14,;-1.86,-3.61,;-.95,-2.37,;-1.86,-1.12,;-3.32,-1.6,)|
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n/an/a 0.185n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
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n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50507816
PNG
(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)
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Allosteric inhibition of fluorescein labeled probe binding to His-tagged recombinant human TYK2 pseudokinase JH2 domain (575-869 residues) incubated ...

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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM387817
PNG
(US10294226, Compound C)
Show SMILES C[C@@H](O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:19.22,1.1,wD:16.18,(-5.1,-.96,;-4.33,.37,;-5.1,1.71,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...

Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2C53P5D
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM387816
PNG
(US10294226, Compound B | US11059823, Example B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:17.20,wD:14.16,(-4.33,.37,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
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n/an/a<0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...

Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2C53P5D
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50250920
PNG
(CHEMBL4078799)
Show SMILES Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1 |r|
Show InChI InChI=1S/C20H21N7O2/c1-26-10-15(9-23-26)13-2-4-16(5-3-13)24-20-17(19(22)28)11-27(25-20)18-12-29-7-6-14(18)8-21/h2-5,9-11,14,18H,6-7,12H2,1H3,(H2,22,28)(H,24,25)/t14-,18+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human TYK2 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 ...

J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM555375
PNG
(US11344549, Example 51)
Show SMILES CCc1ccccc1CNc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
TYK2 (the final concentration was 8 nM); ATP (the final concentration was 20 μM); ULight-labeled JAK-1 (Tyr1023) Peptide (the final concentratio...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2M048NJ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50434787
PNG
(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
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26H4MJS
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM387816
PNG
(US10294226, Compound B | US11059823, Example B)
Show SMILES OCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:17.20,wD:14.16,(-4.33,.37,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|
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TBA

Assay Description
11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...

Citation and Details

BindingDB Entry DOI: 10.7270/Q26H4MJS
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50507816
PNG
(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)
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489965
PNG
(US10966980, Example 219)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.07,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;3.22,4.31,;1.74,4.71,;3.47,2.46,;3.07,.97,;4.4,1.74,;1.74,.2,;2.51,-1.14,;3.84,-.37,;-.44,1,;-3.07,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.07,-4.71,;-1.74,-3.94,;-.27,-4.42,;.63,-3.17,;-.27,-1.93,;-1.74,-2.4,)|
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n/an/a 0.216n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489969
PNG
(US10966980, Example 223)
Show SMILES COc1ccc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(6.44,5.51,;6.05,4.02,;4.56,3.62,;3.47,4.71,;1.98,4.31,;1.58,2.83,;2.67,1.74,;4.16,2.14,;.1,2.43,;.49,3.92,;-.3,.94,;-1.39,2.83,;-2.48,1.74,;-4.02,1.74,;-4.02,.2,;-2.48,.2,;-5.11,-.89,;-6.44,-.12,;-5.11,-2.43,;-6.44,-3.2,;-6.44,-4.74,;-5.11,-5.51,;-3.78,-4.74,;-2.31,-5.22,;-1.41,-3.97,;-2.31,-2.72,;-3.78,-3.2,)|
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n/an/a 0.220n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489909
PNG
(US10966980, Example 163)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ccn(C)n2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.4,.68,;-6.07,-.09,;-4.98,1,;-4.98,2.54,;-3.44,2.54,;-2.35,3.62,;-.86,3.23,;-1.26,4.71,;.23,4.31,;.23,2.14,;-.17,.65,;.92,-.44,;2.4,-.04,;2.8,1.45,;1.71,2.54,;3.49,-1.13,;3.49,-2.67,;4.96,-3.15,;5.86,-1.9,;7.4,-1.9,;4.96,-.65,;-3.44,1,;-6.07,-1.63,;-7.4,-2.4,;-7.4,-3.94,;-6.07,-4.71,;-4.73,-3.94,;-3.27,-4.42,;-2.37,-3.17,;-3.27,-1.93,;-4.73,-2.4,)|
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Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489987
PNG
(US10966980, Example 241)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)cc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.18,4.71,;3.67,5.11,;4.76,4.02,;6.24,4.42,;4.36,2.54,;2.87,2.14,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)|
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Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.234n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489922
PNG
(US10966980, Example 176)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccnc(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;2.28,4.01,;3.61,3.24,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;4.94,-2.15,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)|
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Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565972
PNG
(CHEMBL4795231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(C)C)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM569240
PNG
(US11427563, Compound 107 | US11427563, Compound 11...)
Show SMILES Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
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TBA

Assay Description
Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JVK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM569240
PNG
(US11427563, Compound 107 | US11427563, Compound 11...)
Show SMILES Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
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TBA

Assay Description
Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JVK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565971
PNG
(CHEMBL4792231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(C)(C)O)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565968
PNG
(CHEMBL4799019)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(OC)cn2)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM569240
PNG
(US11427563, Compound 107 | US11427563, Compound 11...)
Show SMILES Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
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TBA

Assay Description
Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JVK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565987
PNG
(CHEMBL4793760)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncccn2)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565983
PNG
(CHEMBL4789015)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565982
PNG
(CHEMBL4792694)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(nn2)C(=O)N(C)C)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565980
PNG
(CHEMBL4785512)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(cn2)C(=O)N(C)C)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565974
PNG
(CHEMBL4800399)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(CC)CC)c1OC
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TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565978
PNG
(CHEMBL4777528)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(=O)N(C)C)c1OC
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489936
PNG
(US10966980, Example 190)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(nc2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.69,;1.61,3.47,;2.94,2.69,;4.28,3.47,;2.94,4.23,;2.94,1.15,;1.61,.38,;1.61,-1.15,;2.94,-1.93,;4.28,-1.15,;4.28,.38,;2.94,-3.46,;4.28,-4.23,;1.61,-4.23,;1.46,-3.07,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)|
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489963
PNG
(US10966980, Example 217)
Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.85,-4.06,;4.25,-2.58,;3.16,-1.49,;1.67,-1.89,;.58,-.8,;.98,.69,;2.47,1.09,;3.56,,;2.87,2.58,;4.35,2.98,;3.27,4.06,;1.53,3.35,;.2,2.58,;-1.29,2.98,;-1.69,1.49,;-.2,1.09,;-3.02,.72,;-4.35,1.49,;-3.02,-.82,;-4.35,-1.59,;-4.35,-3.13,;-3.02,-3.9,;-1.69,-3.13,;-.22,-3.61,;.68,-2.36,;-.22,-1.12,;-1.69,-1.59,)|
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n/an/a 0.269n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565984
PNG
(CHEMBL4780233)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C)cn2)c1OC
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489983
PNG
(US10966980, Example 237)
Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.72,6.4,;4.81,5.31,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;2.92,3.43,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)|
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n/an/a 0.278n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489974
PNG
(US10966980, Example 228)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,1.48,;-4.59,.71,;-3.25,1.48,;-2.85,2.97,;-1.37,2.57,;-.03,3.34,;1.3,2.57,;2.07,3.91,;2.07,1.24,;2.84,2.57,;3.61,1.24,;5.15,1.24,;5.92,-.09,;5.92,2.57,;-1.77,1.09,;-4.59,-.83,;-5.92,-1.6,;-5.92,-3.14,;-4.59,-3.91,;-3.25,-3.14,;-1.79,-3.61,;-.88,-2.37,;-1.79,-1.12,;-3.25,-1.6,)|
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n/an/a 0.282n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM490010
PNG
(US10966980, Example 264)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3ccccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4,;3.34,2.67,;1.8,2.67,;.71,3.76,;-.38,2.67,;-1.92,2.67,;-2.69,1.33,;-1.36,.56,;-4.03,2.1,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-5,-2.67,;-5.77,-4,;-7.31,-4,;-8.08,-2.67,;-7.31,-1.33,;-5.77,-1.33,;-5,,;.71,1.58,;4.11,1.33,;3.34,,;4.11,-1.33,;5.65,-1.33,;6.42,,;7.92,.32,;8.08,1.85,;6.68,2.48,;5.65,1.33,)|
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n/an/a 0.293n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50565977
PNG
(CHEMBL4799559)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(C)(C)O)c1OC
PDB

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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489994
PNG
(US10966980, Example 248)
Show SMILES CC[C@H](C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:11.13,9.8,(3.9,-2.66,;2.81,-1.57,;3.21,-.08,;4.7,.32,;2.12,1.01,;2.52,2.5,;4.01,2.89,;2.92,3.98,;1.19,3.27,;-.15,2.5,;-1.63,2.89,;-2.03,1.41,;-.54,1.01,;-3.37,.64,;-4.7,1.41,;-3.37,-.9,;-4.7,-1.67,;-4.7,-3.21,;-3.37,-3.98,;-2.03,-3.21,;-.57,-3.69,;.34,-2.44,;-.57,-1.2,;-2.03,-1.67,)|
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n/an/a 0.302n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489921
PNG
(US10966980, Example 175)
Show SMILES CCOc1cccc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(7.13,.76,;6.05,1.85,;4.56,1.45,;3.47,2.54,;3.87,4.02,;2.78,5.11,;1.29,4.71,;.89,3.23,;1.98,2.14,;-.6,2.83,;-.2,4.31,;-.99,1.34,;-2.08,3.23,;-3.17,2.14,;-4.71,2.14,;-4.71,.6,;-3.17,.6,;-5.8,-.49,;-7.13,.28,;-5.8,-2.03,;-7.13,-2.8,;-7.13,-4.34,;-5.8,-5.11,;-4.47,-4.34,;-3,-4.82,;-2.1,-3.57,;-3,-2.33,;-4.47,-2.8,)|
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n/an/a 0.304n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489997
PNG
(US10966980, Example 251)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccncc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,.28,;-4.17,-.49,;-3.08,.6,;-3.08,2.14,;-1.54,2.14,;-.45,3.23,;1.04,2.83,;1.44,4.31,;.64,1.34,;2.53,3.23,;3.61,2.14,;5.1,2.54,;5.5,4.02,;4.41,5.11,;2.92,4.71,;-1.54,.6,;-4.17,-2.03,;-5.5,-2.8,;-5.5,-4.34,;-4.17,-5.11,;-2.83,-4.34,;-1.37,-4.82,;-.46,-3.57,;-1.37,-2.33,;-2.83,-2.8,)|
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n/an/a 0.307n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50530383
PNG
(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)
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n/an/a 0.320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...

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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50530383
PNG
(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)
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n/an/a 0.320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...

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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM489966
PNG
(US10966980, Example 220)
Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(c2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.9,-1.21,;-4.57,-1.98,;-3.48,-.89,;-3.48,.65,;-1.94,.65,;-.85,1.74,;.64,1.34,;1.04,2.83,;.24,-.15,;2.13,1.74,;3.22,.65,;4.7,1.05,;5.1,2.54,;4.01,3.62,;2.53,3.23,;4.41,5.11,;4.81,6.6,;2.92,5.51,;5.9,4.71,;-1.94,-.89,;-4.57,-3.52,;-5.9,-4.29,;-5.9,-5.83,;-4.57,-6.6,;-3.23,-5.83,;-1.77,-6.31,;-.86,-5.06,;-1.77,-3.81,;-3.23,-4.29,)|
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n/an/a 0.322n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...

US Patent US10966980 (2021)


BindingDB Entry DOI: 10.7270/Q29S1V59
More data for this
Ligand-Target Pair
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