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Patent code 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
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
PDB

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n/an/a 6n/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)

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
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
PDB

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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)

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 COc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)\C=C\CN(C)C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C25H29N7O3/c1-31(2)13-4-7-22(33)32-14-12-18(16-32)28-24-23-25(27-17-26-24)30-21(29-23)6-5-15-35-20-10-8-19(34-3)9-11-20/h4,7-11,17-18H,12-16H2,1-3H3,(H2,26,27,28,29,30)/b7-4+
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)

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
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)

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 COc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)\C=C\CN(C)C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C25H29N7O3/c1-31(2)13-4-7-22(33)32-14-12-18(16-32)28-24-23-25(27-17-26-24)30-21(29-23)6-5-15-35-20-10-8-19(34-3)9-11-20/h4,7-11,17-18H,12-16H2,1-3H3,(H2,26,27,28,29,30)/b7-4+
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)

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
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)

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
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+
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)

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
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
PDB

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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)

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
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)

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
Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+
PDB

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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)

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
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+
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)

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
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)

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
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-
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)

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
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-
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)

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 CNC\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(cc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H26N6O2/c1-25-12-5-10-22(31)30-13-11-19(16-30)29-24-21-15-18(28-23(21)26-17-27-24)7-6-14-32-20-8-3-2-4-9-20/h2-5,8-10,15,17,19,25H,11-14,16H2,1H3,(H2,26,27,28,29)/b10-5+
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)

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
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)

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
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)

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 CNC\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(cc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H26N6O2/c1-25-12-5-10-22(31)30-13-11-19(16-30)29-24-21-15-18(28-23(21)26-17-27-24)7-6-14-32-20-8-3-2-4-9-20/h2-5,8-10,15,17,19,25H,11-14,16H2,1H3,(H2,26,27,28,29)/b10-5+
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)

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
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+
PDB

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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)

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 Fc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C21H19FN6O2/c1-2-18(29)28-10-9-15(12-28)25-20-19-21(24-13-23-20)27-17(26-19)4-3-11-30-16-7-5-14(22)6-8-16/h2,5-8,13,15H,1,9-12H2,(H2,23,24,25,26,27)
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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)

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 Fc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C21H19FN6O2/c1-2-18(29)28-10-9-15(12-28)25-20-19-21(24-13-23-20)27-17(26-19)4-3-11-30-16-7-5-14(22)6-8-16/h2,5-8,13,15H,1,9-12H2,(H2,23,24,25,26,27)
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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)

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
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)

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 CN(C)C\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(nc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c1-30(2)13-6-11-21(32)31-14-12-18(16-31)27-23-22-24(26-17-25-23)29-20(28-22)10-7-15-33-19-8-4-3-5-9-19/h3-6,8-9,11,17-18H,12-16H2,1-2H3,(H2,25,26,27,28,29)/b11-6+
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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)

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 CN(C)C\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(nc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H27N7O2/c1-30(2)13-6-11-21(32)31-14-12-18(16-31)27-23-22-24(26-17-25-23)29-20(28-22)10-7-15-33-19-8-4-3-5-9-19/h3-6,8-9,11,17-18H,12-16H2,1-2H3,(H2,25,26,27,28,29)/b11-6+
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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)

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
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)

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
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)

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 CNC\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(cc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H26N6O2/c1-25-12-5-10-22(31)30-13-11-19(16-30)29-24-21-15-18(28-23(21)26-17-27-24)7-6-14-32-20-8-3-2-4-9-20/h2-5,8-10,15,17,19,25H,11-14,16H2,1H3,(H2,26,27,28,29)/b10-5+
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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)

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 CNC\C=C\C(=O)N1CCC(C1)Nc1ncnc2[nH]c(cc12)C#CCOc1ccccc1
Show InChI InChI=1S/C24H26N6O2/c1-25-12-5-10-22(31)30-13-11-19(16-30)29-24-21-15-18(28-23(21)26-17-27-24)7-6-14-32-20-8-3-2-4-9-20/h2-5,8-10,15,17,19,25H,11-14,16H2,1H3,(H2,26,27,28,29)/b10-5+
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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)

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
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)

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
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)

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
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)

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
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)

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 COc1cccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)c1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-10-9-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)8-5-11-31-17-7-4-6-16(12-17)30-2/h3-4,6-7,12,14-15H,1,9-11,13H2,2H3,(H2,23,24,25,26,27)
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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)

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 COc1cccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)c1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-10-9-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)8-5-11-31-17-7-4-6-16(12-17)30-2/h3-4,6-7,12,14-15H,1,9-11,13H2,2H3,(H2,23,24,25,26,27)
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)

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
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)

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
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)

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 COc1ccccc1OCC#Cc1nc2c(NC3CCN(C3)C(=O)C=C)ncnc2[nH]1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-11-10-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)9-6-12-31-17-8-5-4-7-16(17)30-2/h3-5,7-8,14-15H,1,10-13H2,2H3,(H2,23,24,25,26,27)
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)

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 COc1ccccc1OCC#Cc1nc2c(NC3CCN(C3)C(=O)C=C)ncnc2[nH]1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-11-10-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)9-6-12-31-17-8-5-4-7-16(17)30-2/h3-5,7-8,14-15H,1,10-13H2,2H3,(H2,23,24,25,26,27)
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)

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
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)

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
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-
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)

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 COc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-11-10-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)5-4-12-31-17-8-6-16(30-2)7-9-17/h3,6-9,14-15H,1,10-13H2,2H3,(H2,23,24,25,26,27)
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)

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 COc1ccc(OCC#Cc2nc3c(NC4CCN(C4)C(=O)C=C)ncnc3[nH]2)cc1
Show InChI InChI=1S/C22H22N6O3/c1-3-19(29)28-11-10-15(13-28)25-21-20-22(24-14-23-21)27-18(26-20)5-4-12-31-17-8-6-16(30-2)7-9-17/h3,6-9,14-15H,1,10-13H2,2H3,(H2,23,24,25,26,27)
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)

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
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-
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)

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
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-
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)

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
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-
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)

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
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-
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)

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
Show InChI InChI=1S/C20H20N8O2/c1-30-15-7-20(8-15,3-4-21)28-10-13(9-23-28)19-18-2-5-22-27(18)11-17(24-19)16-6-14(12-29)25-26-16/h2,5-6,9-11,15,29H,3,7-8,12H2,1H3,(H,25,26)/t15-,20-
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)

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
Show InChI InChI=1S/C20H20N8O2/c1-30-15-7-20(8-15,3-4-21)28-10-13(9-23-28)19-18-2-5-22-27(18)11-17(24-19)16-6-14(12-29)25-26-16/h2,5-6,9-11,15,29H,3,7-8,12H2,1H3,(H,25,26)/t15-,20-
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)

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
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

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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)

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
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

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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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%