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USPatent US10144738

Compile Data Set for Download or QSAR

Found 296 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305808
PNG
(2,2′-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyra...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Show InChI InChI=1S/C20H18N10/c1-27-10-15(8-24-27)17-12-29-18(2-6-23-29)19(26-17)16-9-25-30(11-16)20(3-4-21)13-28(14-20)7-5-22/h2,6,8-12H,3,7,13-14H2,1H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305831
PNG
(2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305808
PNG
(2,2′-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyra...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC#N)C1
Show InChI InChI=1S/C20H18N10/c1-27-10-15(8-24-27)17-12-29-18(2-6-23-29)19(26-17)16-9-25-30(11-16)20(3-4-21)13-28(14-20)7-5-22/h2,6,8-12H,3,7,13-14H2,1H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305812
PNG
(2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305810
PNG
(2-(1-(Cyclopropylsulfonyl)-3-(4-(6-(1-methyl-1H-py...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C21H21N9O2S/c1-27-10-15(8-24-27)18-12-29-19(4-7-23-29)20(26-18)16-9-25-30(11-16)21(5-6-22)13-28(14-21)33(31,32)17-2-3-17/h4,7-12,17H,2-3,5,13-14H2,1H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305812
PNG
(2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305810
PNG
(2-(1-(Cyclopropylsulfonyl)-3-(4-(6-(1-methyl-1H-py...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C21H21N9O2S/c1-27-10-15(8-24-27)18-12-29-19(4-7-23-29)20(26-18)16-9-25-30(11-16)21(5-6-22)13-28(14-21)33(31,32)17-2-3-17/h4,7-12,17H,2-3,5,13-14H2,1H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305835
PNG
((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)|
Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305809
PNG
(2-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazolo[1,5-...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C19H19N9O2S/c1-25-9-14(7-22-25)16-11-27-17(3-6-21-27)18(24-16)15-8-23-28(10-15)19(4-5-20)12-26(13-19)31(2,29)30/h3,6-11H,4,12-13H2,1-2H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305809
PNG
(2-(3-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazolo[1,5-...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C19H19N9O2S/c1-25-9-14(7-22-25)16-11-27-17(3-6-21-27)18(24-16)15-8-23-28(10-15)19(4-5-20)12-26(13-19)31(2,29)30/h3,6-11H,4,12-13H2,1-2H3
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305835
PNG
((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)|
Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305817
PNG
(2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305821
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305821
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305817
PNG
(2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305833
PNG
(5-(4-(14(1s,3r)-1-(Cyanomethyl)-3-methoxycyclobuty...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(n[nH]1)C(N)=O |r,wU:4.9,2.1,(-6.88,4.85,;-5.55,5.62,;-4.21,4.85,;-2.72,5.25,;-2.33,3.76,;-.79,3.76,;-.02,5.09,;.75,6.42,;-3.81,3.36,;-1.24,2.67,;-1.71,1.2,;-.47,.3,;.78,1.2,;.3,2.67,;-.47,-1.24,;.87,-2.01,;.87,-3.55,;-.47,-4.32,;-1.8,-3.55,;-3.27,-4.03,;-4.17,-2.78,;-3.27,-1.54,;-1.8,-2.01,;2.2,-4.32,;3.66,-3.85,;4.57,-5.09,;3.66,-6.34,;2.2,-5.86,;6.11,-5.09,;6.88,-6.42,;6.88,-3.76,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305833
PNG
(5-(4-(14(1s,3r)-1-(Cyanomethyl)-3-methoxycyclobuty...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(n[nH]1)C(N)=O |r,wU:4.9,2.1,(-6.88,4.85,;-5.55,5.62,;-4.21,4.85,;-2.72,5.25,;-2.33,3.76,;-.79,3.76,;-.02,5.09,;.75,6.42,;-3.81,3.36,;-1.24,2.67,;-1.71,1.2,;-.47,.3,;.78,1.2,;.3,2.67,;-.47,-1.24,;.87,-2.01,;.87,-3.55,;-.47,-4.32,;-1.8,-3.55,;-3.27,-4.03,;-4.17,-2.78,;-3.27,-1.54,;-1.8,-2.01,;2.2,-4.32,;3.66,-3.85,;4.57,-5.09,;3.66,-6.34,;2.2,-5.86,;6.11,-5.09,;6.88,-6.42,;6.88,-3.76,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305802
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(5-(hydroxymethyl)...)
Show SMILES OCc1cc(no1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:21.24,26.32,(5.66,-5.95,;4.57,-4.86,;3.08,-5.26,;2.18,-4.01,;.71,-4.49,;.71,-6.03,;2.18,-6.5,;-.62,-3.72,;-1.96,-4.49,;-3.29,-3.72,;-4.75,-4.19,;-5.66,-2.95,;-4.75,-1.7,;-3.29,-2.18,;-1.96,-1.41,;-.62,-2.18,;-1.96,.13,;-3.2,1.04,;-2.73,2.5,;-1.19,2.5,;-.71,1.04,;-.42,3.84,;-1.96,3.84,;-2.73,5.17,;-3.5,6.5,;-.02,5.32,;1.47,4.93,;1.07,3.44,;2.8,5.7,;4.14,6.47,)|
Show InChI InChI=1S/C20H16N8O2/c21-3-2-20(6-13(7-20)8-22)28-10-14(9-24-28)19-18-1-4-23-27(18)11-17(25-19)16-5-15(12-29)30-26-16/h1,4-5,9-11,13,29H,2,6-7,12H2/t13-,20+
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305802
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(5-(hydroxymethyl)...)
Show SMILES OCc1cc(no1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:21.24,26.32,(5.66,-5.95,;4.57,-4.86,;3.08,-5.26,;2.18,-4.01,;.71,-4.49,;.71,-6.03,;2.18,-6.5,;-.62,-3.72,;-1.96,-4.49,;-3.29,-3.72,;-4.75,-4.19,;-5.66,-2.95,;-4.75,-1.7,;-3.29,-2.18,;-1.96,-1.41,;-.62,-2.18,;-1.96,.13,;-3.2,1.04,;-2.73,2.5,;-1.19,2.5,;-.71,1.04,;-.42,3.84,;-1.96,3.84,;-2.73,5.17,;-3.5,6.5,;-.02,5.32,;1.47,4.93,;1.07,3.44,;2.8,5.7,;4.14,6.47,)|
Show InChI InChI=1S/C20H16N8O2/c21-3-2-20(6-13(7-20)8-22)28-10-14(9-24-28)19-18-1-4-23-27(18)11-17(25-19)16-5-15(12-29)30-26-16/h1,4-5,9-11,13,29H,2,6-7,12H2/t13-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305835
PNG
((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)|
Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305835
PNG
((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)|
Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305802
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(5-(hydroxymethyl)...)
Show SMILES OCc1cc(no1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:21.24,26.32,(5.66,-5.95,;4.57,-4.86,;3.08,-5.26,;2.18,-4.01,;.71,-4.49,;.71,-6.03,;2.18,-6.5,;-.62,-3.72,;-1.96,-4.49,;-3.29,-3.72,;-4.75,-4.19,;-5.66,-2.95,;-4.75,-1.7,;-3.29,-2.18,;-1.96,-1.41,;-.62,-2.18,;-1.96,.13,;-3.2,1.04,;-2.73,2.5,;-1.19,2.5,;-.71,1.04,;-.42,3.84,;-1.96,3.84,;-2.73,5.17,;-3.5,6.5,;-.02,5.32,;1.47,4.93,;1.07,3.44,;2.8,5.7,;4.14,6.47,)|
Show InChI InChI=1S/C20H16N8O2/c21-3-2-20(6-13(7-20)8-22)28-10-14(9-24-28)19-18-1-4-23-27(18)11-17(25-19)16-5-15(12-29)30-26-16/h1,4-5,9-11,13,29H,2,6-7,12H2/t13-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM305820
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305802
PNG
((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(5-(hydroxymethyl)...)
Show SMILES OCc1cc(no1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:21.24,26.32,(5.66,-5.95,;4.57,-4.86,;3.08,-5.26,;2.18,-4.01,;.71,-4.49,;.71,-6.03,;2.18,-6.5,;-.62,-3.72,;-1.96,-4.49,;-3.29,-3.72,;-4.75,-4.19,;-5.66,-2.95,;-4.75,-1.7,;-3.29,-2.18,;-1.96,-1.41,;-.62,-2.18,;-1.96,.13,;-3.2,1.04,;-2.73,2.5,;-1.19,2.5,;-.71,1.04,;-.42,3.84,;-1.96,3.84,;-2.73,5.17,;-3.5,6.5,;-.02,5.32,;1.47,4.93,;1.07,3.44,;2.8,5.7,;4.14,6.47,)|
Show InChI InChI=1S/C20H16N8O2/c21-3-2-20(6-13(7-20)8-22)28-10-14(9-24-28)19-18-1-4-23-27(18)11-17(25-19)16-5-15(12-29)30-26-16/h1,4-5,9-11,13,29H,2,6-7,12H2/t13-,20+
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305827
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(5-methyl-1H-pyraz...)
Show SMILES Cc1cc(n[nH]1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.18,-4.05,;3.85,-4.82,;2.6,-3.92,;1.35,-4.82,;1.83,-6.29,;3.37,-6.29,;-.15,-4.5,;-1.18,-5.65,;-2.69,-5.33,;-3.93,-6.23,;-5.18,-5.33,;-4.7,-3.86,;-3.16,-3.86,;-2.13,-2.72,;-.63,-3.04,;-2.61,-1.25,;-4.07,-.78,;-4.07,.76,;-2.61,1.24,;-1.7,-.01,;-1.84,2.57,;-3.38,2.57,;-4.15,3.9,;-4.92,5.24,;-1.84,4.11,;-.3,4.11,;-.3,2.57,;.79,5.2,;1.88,6.29,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305827
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(5-methyl-1H-pyraz...)
Show SMILES Cc1cc(n[nH]1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.18,-4.05,;3.85,-4.82,;2.6,-3.92,;1.35,-4.82,;1.83,-6.29,;3.37,-6.29,;-.15,-4.5,;-1.18,-5.65,;-2.69,-5.33,;-3.93,-6.23,;-5.18,-5.33,;-4.7,-3.86,;-3.16,-3.86,;-2.13,-2.72,;-.63,-3.04,;-2.61,-1.25,;-4.07,-.78,;-4.07,.76,;-2.61,1.24,;-1.7,-.01,;-1.84,2.57,;-3.38,2.57,;-4.15,3.9,;-4.92,5.24,;-1.84,4.11,;-.3,4.11,;-.3,2.57,;.79,5.2,;1.88,6.29,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305816
PNG
(2-((1r,3s)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305816
PNG
(2-((1r,3s)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305826
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(3-methyl-6-(1-methyl...)
Show SMILES Cc1cnn2cc(nc(-c3cnn(c3)[C@@]3(CC#N)C[C@@H](C3)C#N)c12)-c1cnn(C)c1 |r,wU:14.14,wD:19.22,(-3.81,-.37,;-3.04,-1.7,;-3.95,-2.95,;-3.04,-4.19,;-1.58,-3.72,;-.24,-4.49,;1.09,-3.72,;1.09,-2.18,;-.24,-1.41,;-.24,.13,;1,1.04,;.53,2.5,;-1.01,2.5,;-1.49,1.04,;-1.78,3.84,;-.24,3.84,;.53,5.17,;1.3,6.5,;-3.27,3.44,;-3.67,4.93,;-2.18,5.32,;-5,5.7,;-6.34,6.47,;-1.58,-2.18,;2.43,-4.49,;2.43,-6.03,;3.89,-6.5,;4.8,-5.26,;6.34,-5.26,;3.89,-4.01,)|
Show InChI InChI=1S/C21H19N9/c1-14-8-25-29-13-18(16-9-24-28(2)11-16)27-19(20(14)29)17-10-26-30(12-17)21(3-4-22)5-15(6-21)7-23/h8-13,15H,3,5-6H2,1-2H3/t15-,21-
PDB

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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305826
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(3-methyl-6-(1-methyl...)
Show SMILES Cc1cnn2cc(nc(-c3cnn(c3)[C@@]3(CC#N)C[C@@H](C3)C#N)c12)-c1cnn(C)c1 |r,wU:14.14,wD:19.22,(-3.81,-.37,;-3.04,-1.7,;-3.95,-2.95,;-3.04,-4.19,;-1.58,-3.72,;-.24,-4.49,;1.09,-3.72,;1.09,-2.18,;-.24,-1.41,;-.24,.13,;1,1.04,;.53,2.5,;-1.01,2.5,;-1.49,1.04,;-1.78,3.84,;-.24,3.84,;.53,5.17,;1.3,6.5,;-3.27,3.44,;-3.67,4.93,;-2.18,5.32,;-5,5.7,;-6.34,6.47,;-1.58,-2.18,;2.43,-4.49,;2.43,-6.03,;3.89,-6.5,;4.8,-5.26,;6.34,-5.26,;3.89,-4.01,)|
Show InChI InChI=1S/C21H19N9/c1-14-8-25-29-13-18(16-9-24-28(2)11-16)27-19(20(14)29)17-10-26-30(12-17)21(3-4-22)5-15(6-21)7-23/h8-13,15H,3,5-6H2,1-2H3/t15-,21-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305813
PNG
(2,2′-((1r,3r)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@H](CC#N)C1 |r,wU:20.23,wD:25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305813
PNG
(2,2′-((1r,3r)-1-(4-(6-(1-Methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@H](CC#N)C1 |r,wU:20.23,wD:25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)|
Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305828
PNG
(2-((1 s,3r)-1-(4-(6-(5-(Hydroxymethyl)-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wD:4.9,2.1,(.31,7.04,;.71,5.55,;-.38,4.46,;-1.92,4.46,;-1.92,2.92,;-3.63,3.15,;-4.4,4.49,;-5.17,5.82,;-.38,2.92,;-2.86,1.82,;-1.95,.57,;-2.86,-.67,;-4.32,-.2,;-4.32,1.34,;-2.38,-2.14,;-.88,-2.46,;-.4,-3.92,;-1.43,-5.07,;-2.94,-4.75,;-4.18,-5.65,;-5.43,-4.75,;-4.95,-3.28,;-3.41,-3.28,;1.1,-4.24,;1.58,-5.71,;3.12,-5.71,;3.89,-7.04,;5.43,-7.04,;3.6,-4.24,;2.35,-3.34,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305828
PNG
(2-((1 s,3r)-1-(4-(6-(5-(Hydroxymethyl)-1H-pyrazol-...)
Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wD:4.9,2.1,(.31,7.04,;.71,5.55,;-.38,4.46,;-1.92,4.46,;-1.92,2.92,;-3.63,3.15,;-4.4,4.49,;-5.17,5.82,;-.38,2.92,;-2.86,1.82,;-1.95,.57,;-2.86,-.67,;-4.32,-.2,;-4.32,1.34,;-2.38,-2.14,;-.88,-2.46,;-.4,-3.92,;-1.43,-5.07,;-2.94,-4.75,;-4.18,-5.65,;-5.43,-4.75,;-4.95,-3.28,;-3.41,-3.28,;1.1,-4.24,;1.58,-5.71,;3.12,-5.71,;3.89,-7.04,;5.43,-7.04,;3.6,-4.24,;2.35,-3.34,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305825
PNG
(2-((1r,3s)-1-(4-(6-(5-Amino-1-methyl-1H-pyrazol-3-...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)n(C)n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H21N9O/c1-27-18(22)7-15(26-27)16-12-28-17(3-6-23-28)19(25-16)13-10-24-29(11-13)20(4-5-21)8-14(9-20)30-2/h3,6-7,10-12,14H,4,8-9,22H2,1-2H3/t14-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305825
PNG
(2-((1r,3s)-1-(4-(6-(5-Amino-1-methyl-1H-pyrazol-3-...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)n(C)n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)|
Show InChI InChI=1S/C20H21N9O/c1-27-18(22)7-15(26-27)16-12-28-17(3-6-23-28)19(25-16)13-10-24-29(11-13)20(4-5-21)8-14(9-20)30-2/h3,6-7,10-12,14H,4,8-9,22H2,1-2H3/t14-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM305824
PNG
((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305829
PNG
(2-((1r,3s)-1-(4-(6-(5-(Hydroxymethyl)-1H-pyrazol-3...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;13.38,.28,;10.46,-2.62,;8.95,-2.3,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305829
PNG
(2-((1r,3s)-1-(4-(6-(5-(Hydroxymethyl)-1H-pyrazol-3...)
Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(CO)[nH]n1 |r,wU:2.1,wD:4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;12.76,-1.13,;13.38,.28,;10.46,-2.62,;8.95,-2.3,)|
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Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305823
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(3-(hydroxymethyl)...)
Show SMILES Cn1cc(c(CO)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:22.25,wD:27.33,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;8.39,3.91,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C21H19N9O/c1-28-11-16(18(13-31)27-28)17-12-29-19(2-5-24-29)20(26-17)15-9-25-30(10-15)21(3-4-22)6-14(7-21)8-23/h2,5,9-12,14,31H,3,6-7,13H2,1H3/t14-,21-
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2SN0C19
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM305823
PNG
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(3-(hydroxymethyl)...)
Show SMILES Cn1cc(c(CO)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:22.25,wD:27.33,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;8.39,3.91,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)|
Show InChI InChI=1S/C21H19N9O/c1-28-11-16(18(13-31)27-28)17-12-29-19(2-5-24-29)20(26-17)15-9-25-30(10-15)21(3-4-22)6-14(7-21)8-23/h2,5,9-12,14,31H,3,6-7,13H2,1H3/t14-,21-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...

US Patent US10144738 (2018)


BindingDB Entry DOI: 10.7270/Q2XD13RM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%