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Patent code US9663526

Compile Data Set for Download or QSAR

Found 468 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))
BDBM329926
PNG
(US9663526, Example 9)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329989
PNG
(US9663526, Example 72)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(F)(F)F)cc1C
Show InChI InChI=1S/C22H24F4N6O2/c1-3-27-19(33)16-7-4-13(8-12(16)2)29-21-28-9-17(23)18(30-21)31-10-14-5-6-15(11-31)32(14)20(34)22(24,25)26/h4,7-9,14-15H,3,5-6,10-11H2,1-2H3,(H,27,33)(H,28,29,30)/t14-,15+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330000
PNG
(US9663526, Example 83)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])CN(C2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C20H27N9O2S/c1-21-12-20(13-28(14-20)32(3,30)31)29-16-4-5-17(29)11-27(10-16)18-6-7-22-19(25-18)24-15-8-23-26(2)9-15/h6-9,16-17H,4-5,10-14H2,2-3H3,(H,22,24,25)/t16-,17+
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329971
PNG
(US9663526, Example 54)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2(C)COC2)cc1C
Show InChI InChI=1S/C23H31N7O2/c1-15-8-16(9-26-20(15)21(31)24-3)27-22-25-7-6-19(28-22)29-10-17-4-5-18(11-29)30(17)12-23(2)13-32-14-23/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,24,31)(H,25,27,28)/t17-,18+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330006
PNG
(US9663526, Example 89)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cc1C
Show InChI InChI=1S/C21H25F3N8O2/c1-12-7-13(8-27-17(12)18(33)25-2)29-19-26-6-5-16(30-19)31-9-14-3-4-15(10-31)32(14)20(34)28-11-21(22,23)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,25,33)(H,28,34)(H,26,29,30)/t14-,15+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330006
PNG
(US9663526, Example 89)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cc1C
Show InChI InChI=1S/C21H25F3N8O2/c1-12-7-13(8-27-17(12)18(33)25-2)29-19-26-6-5-16(30-19)31-9-14-3-4-15(10-31)32(14)20(34)28-11-21(22,23)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,25,33)(H,28,34)(H,26,29,30)/t14-,15+
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330000
PNG
(US9663526, Example 83)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])CN(C2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C20H27N9O2S/c1-21-12-20(13-28(14-20)32(3,30)31)29-16-4-5-17(29)11-27(10-16)18-6-7-22-19(25-18)24-15-8-23-26(2)9-15/h6-9,16-17H,4-5,10-14H2,2-3H3,(H,22,24,25)/t16-,17+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330012
PNG
(US9663526, Example 95)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1[N+]#[C-])c1nc(Nc2cnn(C)c2)ncc1F
Show InChI InChI=1S/C19H21FN8O/c1-10-13-8-28(9-19(10,13)26-17(29)12-4-15(12)21-2)16-14(20)6-22-18(25-16)24-11-5-23-27(3)7-11/h5-7,10,12-13,15H,4,8-9H2,1,3H3,(H,26,29)(H,22,24,25)/t10-,12-,13+,15-,19+/m1/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329968
PNG
(US9663526, Example 51)
Show SMILES FC1(F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C17H19F2N7O/c18-17(19)5-13(17)15(27)26-11-1-2-12(26)9-25(8-11)14-3-4-20-16(24-14)23-10-6-21-22-7-10/h3-4,6-7,11-13H,1-2,5,8-9H2,(H,21,22)(H,20,23,24)/t11-,12+,13-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329930
PNG
(US9663526, Example 13)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1
Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330002
PNG
(US9663526, Example 85)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
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Pfizer Inc.

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US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329968
PNG
(US9663526, Example 51)
Show SMILES FC1(F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C17H19F2N7O/c18-17(19)5-13(17)15(27)26-11-1-2-12(26)9-25(8-11)14-3-4-20-16(24-14)23-10-6-21-22-7-10/h3-4,6-7,11-13H,1-2,5,8-9H2,(H,21,22)(H,20,23,24)/t11-,12+,13-/m0/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329941
PNG
(US9663526, Example 24)
Show SMILES CCn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cn1
Show InChI InChI=1S/C20H24N8O/c1-2-27-10-14(9-23-27)24-20-22-6-5-18(25-20)26-11-15-3-4-16(12-26)28(15)19(29)17-7-13(17)8-21/h5-6,9-10,13,15-17H,2-4,7,11-12H2,1H3,(H,22,24,25)/t13-,15-,16+,17+/m0/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330015
PNG
(US9663526, Example 98)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1C[C@@H]1[N+]#[C-])c1nc(Nc2ccc(OCCO)nc2)ncc1C
Show InChI InChI=1S/C23H27N7O3/c1-13-9-26-22(27-15-4-5-19(25-10-15)33-7-6-31)28-20(13)30-11-17-14(2)23(17,12-30)29-21(32)16-8-18(16)24-3/h4-5,9-10,14,16-18,31H,6-8,11-12H2,1-2H3,(H,29,32)(H,26,27,28)/t14-,16+,17+,18+,23+/m1/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330007
PNG
(US9663526, Example 90)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cc1C
Show InChI InChI=1S/C21H25N9O2/c1-13-9-14(10-26-18(13)19(31)23-2)27-20-24-7-5-17(28-20)29-11-15-3-4-16(12-29)30(15)21(32)25-8-6-22/h5,7,9-10,15-16H,3-4,8,11-12H2,1-2H3,(H,23,31)(H,25,32)(H,24,27,28)/t15-,16+
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Pfizer Inc.

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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329950
PNG
(US9663526, Example 33)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C
Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330002
PNG
(US9663526, Example 85)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330007
PNG
(US9663526, Example 90)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cc1C
Show InChI InChI=1S/C21H25N9O2/c1-13-9-14(10-26-18(13)19(31)23-2)27-20-24-7-5-17(28-20)29-11-15-3-4-16(12-29)30(15)21(32)25-8-6-22/h5,7,9-10,15-16H,3-4,8,11-12H2,1-2H3,(H,23,31)(H,25,32)(H,24,27,28)/t15-,16+
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US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329962
PNG
(US9663526, Example 45)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2F)cc1C
Show InChI InChI=1S/C22H26FN7O2/c1-12-7-13(9-26-19(12)20(31)24-2)27-22-25-6-5-18(28-22)29-10-14-3-4-15(11-29)30(14)21(32)16-8-17(16)23/h5-7,9,14-17H,3-4,8,10-11H2,1-2H3,(H,24,31)(H,25,27,28)/t14-,15+,16-,17-/m1/s1
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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329990
PNG
(US9663526, Example 73)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C
Show InChI InChI=1S/C25H33FN6O3/c1-6-27-22(33)19-10-7-16(11-15(19)2)29-23-28-12-20(26)21(30-23)31-13-17-8-9-18(14-31)32(17)24(34)35-25(3,4)5/h7,10-12,17-18H,6,8-9,13-14H2,1-5H3,(H,27,33)(H,28,29,30)/t17-,18+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329949
PNG
(US9663526, Example 32)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1C
Show InChI InChI=1S/C23H26N8O2/c1-13-7-15(10-27-20(13)21(32)25-2)28-23-26-6-5-19(29-23)30-11-16-3-4-17(12-30)31(16)22(33)18-8-14(18)9-24/h5-7,10,14,16-18H,3-4,8,11-12H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,16-,17+,18+/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329924
PNG
(US9663526, Example 7)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329978
PNG
(US9663526, Example 61)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H](C2)C#N)cc1C
Show InChI InChI=1S/C23H28N8O/c1-14-7-16(11-27-21(14)22(32)25-2)28-23-26-6-5-20(29-23)30-12-17-3-4-18(13-30)31(17)19-8-15(9-19)10-24/h5-7,11,15,17-19H,3-4,8-9,12-13H2,1-2H3,(H,25,32)(H,26,28,29)/t15-,17-,18+,19-
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330015
PNG
(US9663526, Example 98)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1C[C@@H]1[N+]#[C-])c1nc(Nc2ccc(OCCO)nc2)ncc1C
Show InChI InChI=1S/C23H27N7O3/c1-13-9-26-22(27-15-4-5-19(25-10-15)33-7-6-31)28-20(13)30-11-17-14(2)23(17,12-30)29-21(32)16-8-18(16)24-3/h4-5,9-10,14,16-18,31H,6-8,11-12H2,1-2H3,(H,29,32)(H,26,27,28)/t14-,16+,17+,18+,23+/m1/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330024
PNG
(US9663526, Example 107)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(n2)N2CC3C[C@]3(C2)NC(=O)C2CC2)cn1
Show InChI InChI=1S/C18H22ClN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12?,18-/m1/s1
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329971
PNG
(US9663526, Example 54)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2(C)COC2)cc1C
Show InChI InChI=1S/C23H31N7O2/c1-15-8-16(9-26-20(15)21(31)24-3)27-22-25-7-6-19(28-22)29-10-17-4-5-18(11-29)30(17)12-23(2)13-32-14-23/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,24,31)(H,25,27,28)/t17-,18+
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330033
PNG
(US9663526, Example 116)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(F)(F)F)cc1C
Show InChI InChI=1S/C21H22F4N6O2/c1-3-26-18(32)15-5-4-12(6-11(15)2)28-20-27-8-16(22)17(29-20)30-9-13-7-14(10-30)31(13)19(33)21(23,24)25/h4-6,8,13-14H,3,7,9-10H2,1-2H3,(H,26,32)(H,27,28,29)
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329926
PNG
(US9663526, Example 9)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330029
PNG
(US9663526, Example 112)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C
Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM330000
PNG
(US9663526, Example 83)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])CN(C2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C20H27N9O2S/c1-21-12-20(13-28(14-20)32(3,30)31)29-16-4-5-17(29)11-27(10-16)18-6-7-22-19(25-18)24-15-8-23-26(2)9-15/h6-9,16-17H,4-5,10-14H2,2-3H3,(H,22,24,25)/t16-,17+
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Pfizer Inc.

US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330024
PNG
(US9663526, Example 107)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(n2)N2CC3C[C@]3(C2)NC(=O)C2CC2)cn1
Show InChI InChI=1S/C18H22ClN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12?,18-/m1/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329927
PNG
(US9663526, Example 10)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1Cl
Show InChI InChI=1S/C21H22ClF2N7O2/c1-25-18(32)17-15(22)6-11(8-27-17)28-20-26-5-4-16(29-20)30-9-12-2-3-13(10-30)31(12)19(33)14-7-21(14,23)24/h4-6,8,12-14H,2-3,7,9-10H2,1H3,(H,25,32)(H,26,28,29)/t12-,13+,14-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329984
PNG
(US9663526, Example 67 | US9663526, Example 68)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2CC2(F)F)cc1C
Show InChI InChI=1S/C22H27F2N7O/c1-13-7-15(9-27-19(13)20(32)25-2)28-21-26-6-5-18(29-21)30-11-16-3-4-17(12-30)31(16)10-14-8-22(14,23)24/h5-7,9,14,16-17H,3-4,8,10-12H2,1-2H3,(H,25,32)(H,26,28,29)/t14?,16-,17+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329982
PNG
(US9663526, Example 65 | US9663526, Example 66)
Show SMILES FC1(F)CC1CN1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C17H21F2N7/c18-17(19)5-11(17)8-26-13-1-2-14(26)10-25(9-13)15-3-4-20-16(24-15)23-12-6-21-22-7-12/h3-4,6-7,11,13-14H,1-2,5,8-10H2,(H,21,22)(H,20,23,24)/t11?,13-,14+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US9663526, Example 7)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329952
PNG
(US9663526, Example 35)
Show SMILES Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cnc1C(N)=O
Show InChI InChI=1S/C21H23F2N7O2/c1-11-6-12(8-26-17(11)18(24)31)27-20-25-5-4-16(28-20)29-9-13-2-3-14(10-29)30(13)19(32)15-7-21(15,22)23/h4-6,8,13-15H,2-3,7,9-10H2,1H3,(H2,24,31)(H,25,27,28)/t13-,14+,15-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329972
PNG
(US9663526, Example 55)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccns2)cn1
Show InChI InChI=1S/C18H22N8S/c1-24-9-13(8-20-24)22-18-19-6-5-17(23-18)25-10-14-2-3-15(11-25)26(14)12-16-4-7-21-27-16/h4-9,14-15H,2-3,10-12H2,1H3,(H,19,22,23)/t14-,15+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329970
PNG
(US9663526, Example 53)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccno2)cc1C
Show InChI InChI=1S/C22H26N8O2/c1-14-9-15(10-25-20(14)21(31)23-2)27-22-24-7-6-19(28-22)29-11-16-3-4-17(12-29)30(16)13-18-5-8-26-32-18/h5-10,16-17H,3-4,11-13H2,1-2H3,(H,23,31)(H,24,27,28)/t16-,17+
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329943
PNG
(US9663526, Example 26)
Show SMILES CC(C)(C#N)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C23H25F2N7O/c1-22(2,13-26)18-6-3-14(10-28-18)29-21-27-8-7-19(30-21)31-11-15-4-5-16(12-31)32(15)20(33)17-9-23(17,24)25/h3,6-8,10,15-17H,4-5,9,11-12H2,1-2H3,(H,27,29,30)/t15-,16+,17-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330016
PNG
(US9663526, Example 99)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(c2)C2COC2)ncc1F
Show InChI InChI=1S/C20H22F3N7O2/c1-10-14-6-29(9-19(10,14)28-17(31)13-2-20(13,22)23)16-15(21)4-24-18(27-16)26-11-3-25-30(5-11)12-7-32-8-12/h3-5,10,12-14H,2,6-9H2,1H3,(H,28,31)(H,24,26,27)/t10-,13+,14+,19+/m1/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330010
PNG
(US9663526, Example 93)
Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F
Show InChI InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329949
PNG
(US9663526, Example 32)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1C
Show InChI InChI=1S/C23H26N8O2/c1-13-7-15(10-27-20(13)21(32)25-2)28-23-26-6-5-19(29-23)30-11-16-3-4-17(12-30)31(16)22(33)18-8-14(18)9-24/h5-7,10,14,16-18H,3-4,8,11-12H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,16-,17+,18+/m0/s1
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US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329929
PNG
(US9663526, Example 12)
Show SMILES C[C@H](CO)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cn1
Show InChI InChI=1S/C22H26F2N6O2/c1-13(12-31)18-5-2-14(9-26-18)27-21-25-7-6-19(28-21)29-10-15-3-4-16(11-29)30(15)20(32)17-8-22(17,23)24/h2,5-7,9,13,15-17,31H,3-4,8,10-12H2,1H3,(H,25,27,28)/t13-,15-,16+,17?/m1/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330027
PNG
(US9663526, Example 110)
Show SMILES Cn1cc(Nc2ncc(F)c(n2)N2C[C@@]3(CO)C[C@]3(C2)NC(=O)[C@@H]2C[C@H]2[N+]#[C-])cn1
Show InChI InChI=1S/C19H21FN8O2/c1-21-14-3-12(14)16(30)26-19-7-18(19,10-29)8-28(9-19)15-13(20)5-22-17(25-15)24-11-4-23-27(2)6-11/h4-6,12,14,29H,3,7-10H2,2H3,(H,26,30)(H,22,24,25)/t12-,14-,18-,19-/m1/s1
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US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM329971
PNG
(US9663526, Example 54)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2(C)COC2)cc1C
Show InChI InChI=1S/C23H31N7O2/c1-15-8-16(9-26-20(15)21(31)24-3)27-22-25-7-6-19(28-22)29-10-17-4-5-18(11-29)30(17)12-23(2)13-32-14-23/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,24,31)(H,25,27,28)/t17-,18+
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US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329945
PNG
(US9663526, Example 28 | US9663526, Example 29)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cc1F
Show InChI InChI=1S/C21H22F3N7O2/c1-25-18(32)17-15(22)6-11(8-27-17)28-20-26-5-4-16(29-20)30-9-12-2-3-13(10-30)31(12)19(33)14-7-21(14,23)24/h4-6,8,12-14H,2-3,7,9-10H2,1H3,(H,25,32)(H,26,28,29)/t12-,13+,14?
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM329978
PNG
(US9663526, Example 61)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H](C2)C#N)cc1C
Show InChI InChI=1S/C23H28N8O/c1-14-7-16(11-27-21(14)22(32)25-2)28-23-26-6-5-20(29-23)30-12-17-3-4-18(13-30)31(17)19-8-15(9-19)10-24/h5-7,11,15,17-19H,3-4,8-9,12-13H2,1-2H3,(H,25,32)(H,26,28,29)/t15-,17-,18+,19-
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US Patent




US Patent US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM330034
PNG
(US9663526, Example 117)
Show SMILES NC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F
Show InChI InChI=1S/C20H20F3N7O2/c21-14-5-10(7-26-16(14)17(24)31)27-19-25-4-3-15(28-19)29-8-11-1-2-12(9-29)30(11)18(32)13-6-20(13,22)23/h3-5,7,11-13H,1-2,6,8-9H2,(H2,24,31)(H,25,27,28)/t11-,12+,13-/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329941
PNG
(US9663526, Example 24)
Show SMILES CCn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cn1
Show InChI InChI=1S/C20H24N8O/c1-2-27-10-14(9-23-27)24-20-22-6-5-18(25-20)26-11-15-3-4-16(12-26)28(15)19(29)17-7-13(17)8-21/h5-6,9-10,13,15-17H,2-4,7,11-12H2,1H3,(H,22,24,25)/t13-,15-,16+,17+/m0/s1
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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 US9663526 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329948
PNG
(US9663526, Example 31)
Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1Cl
Show InChI InChI=1S/C22H23ClN8O2/c1-25-20(32)19-17(23)7-13(9-27-19)28-22-26-5-4-18(29-22)30-10-14-2-3-15(11-30)31(14)21(33)16-6-12(16)8-24/h4-5,7,9,12,14-16H,2-3,6,10-11H2,1H3,(H,25,32)(H,26,28,29)/t12-,14-,15+,16+/m0/s1
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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 US9663526 (2017)

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