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Compile Data Set for Download or QSAR

Found 8404 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526620
PNG
(CHEMBL4460368)
Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)27-17)20(32)26-14-8-12(14)22/h4-7,9-10,12,14,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t12-,14+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526622
PNG
(CHEMBL4442827)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H20FN9O2/c1-11-5-6-18(28-27-11)30-7-3-4-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)29-17)20(32)26-14-8-12(14)22/h3-7,9-10,12,14,23H,8H2,1-2H3,(H,25,29)(H,26,32)/t12-,14+/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
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0.0200n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFN-alpha stimulated TYK2 phosphorylation by caspase3/7 reagent-based Western blot ...


Eur J Med Chem 163: 413-427 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.072
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
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0.0200n/an/an/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Binding affinity to TYK2 pseudokinase domain (unknown origin)


Bioorg Med Chem Lett 29: 2034-2041 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.042
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
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0.0200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescein labeled probe binding to His-tagged human TYK2 pseudokinase domain (575-869 residues) by Morrison titration based HTRF assa...


J Med Chem 62: 8973-8995 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00444
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526613
PNG
(CHEMBL4571920)
Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H18F2N8O2/c1-24-14-9-17(29-31-15(10-25-19(14)31)20(32)27-13-8-11(13)22)26-12-4-3-7-30(21(12)33)18-6-2-5-16(23)28-18/h2-7,9-11,13,24H,8H2,1H3,(H,26,29)(H,27,32)/t11-,13+/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526619
PNG
(CHEMBL4439957)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H18F2N8O2/c1-24-15-8-17(29-31-16(10-26-19(15)31)20(32)28-14-7-12(14)23)27-13-3-2-6-30(21(13)33)18-5-4-11(22)9-25-18/h2-6,8-10,12,14,24H,7H2,1H3,(H,27,29)(H,28,32)/t12-,14+/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM463752
PNG
(US10781204, Compound I-229)
Show SMILES CO[C@H]1CCN(C[C@@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463609
PNG
(US10781204, Compound I-88)
Show SMILES O[C@@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H18F4N6O2/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(30-15)11-29-21(20)34)33-8-5-18(31-33)32-7-2-6-22(35,12-32)23(25,26)27/h1,3-5,8-9,35H,2,6-7,11-12H2,(H,29,34)/t22-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463684
PNG
(US10781204, Compound I-162)
Show SMILES C[C@]1(O)CN(CC[C@H]1O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C23H21FN6O3/c1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24/h2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32)/t18-,23+/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463689
PNG
(US10781204, Compound I-166)
Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CC[C@@]2(CCNC2=O)C1
Show InChI InChI=1S/C24H20FN7O2/c25-15-3-1-2-14(11-26)20(15)16-10-18(21-17(29-16)12-28-22(21)33)32-8-4-19(30-32)31-9-6-24(13-31)5-7-27-23(24)34/h1-4,8,10H,5-7,9,12-13H2,(H,27,34)(H,28,33)/t24-/m0/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463696
PNG
(US10781204, Compound I-173)
Show SMILES O[C@H]1CN(CC[C@H]1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)/t13-,18+/m1/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463710
PNG
(US10781204, Compound I-187)
Show SMILES CC1(C)C(O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C23H21FN6O2/c1-23(2)18(31)6-8-29(23)19-7-9-30(28-19)17-10-15(27-16-12-26-22(32)21(16)17)20-13(11-25)4-3-5-14(20)24/h3-5,7,9-10,18,31H,6,8,12H2,1-2H3,(H,26,32)
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463711
PNG
(US10781204, Compound I-188)
Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C23H19FN6O2/c24-16-3-1-2-13(9-25)21(16)17-8-19(22-18(27-17)10-26-23(22)31)30-7-6-20(28-30)29-11-14-4-5-15(12-29)32-14/h1-3,6-8,14-15H,4-5,10-12H2,(H,26,31)/t14-,15+
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463736
PNG
(US10781204, Compound I-213 | US10781204, Compound ...)
Show SMILES CO[C@@H]1CCN(C[C@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m1/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463621
PNG
(US10781204, Compound I-100)
Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCC2(C1)OCCO2
Show InChI InChI=1S/C23H19FN6O3/c24-15-3-1-2-14(11-25)20(15)16-10-18(21-17(27-16)12-26-22(21)31)30-6-4-19(28-30)29-7-5-23(13-29)32-8-9-33-23/h1-4,6,10H,5,7-9,12-13H2,(H,26,31)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463639
PNG
(US10781204, Compound I-118)
Show SMILES N[C@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)/t22-/m0/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463640
PNG
(US10781204, Compound I-119)
Show SMILES N[C@@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)/t22-/m1/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463657
PNG
(US10781204, Compound I-136)
Show SMILES O[C@H]1CCN(C[C@H]1O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C22H19FN6O3/c23-13-3-1-2-12(9-24)20(13)14-8-16(21-15(26-14)10-25-22(21)32)29-7-5-19(27-29)28-6-4-17(30)18(31)11-28/h1-3,5,7-8,17-18,30-31H,4,6,10-11H2,(H,25,32)/t17-,18+/m0/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463662
PNG
(US10781204, Compound I-141)
Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCNC(=O)CC1
Show InChI InChI=1S/C22H18FN7O2/c23-14-3-1-2-13(11-24)20(14)15-10-17(21-16(27-15)12-26-22(21)32)30-8-4-18(28-30)29-7-5-19(31)25-6-9-29/h1-4,8,10H,5-7,9,12H2,(H,25,31)(H,26,32)
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463600
PNG
(US10781204, Compound I-142 | US10781204, Compound ...)
Show SMILES O[C@H]1CCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C21H17FN6O2/c22-14-3-1-2-12(9-23)19(14)15-8-17(20-16(25-15)10-24-21(20)30)28-7-5-18(26-28)27-6-4-13(29)11-27/h1-3,5,7-8,13,29H,4,6,10-11H2,(H,24,30)/t13-/m0/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463671
PNG
(US10781204, Compound I-149)
Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCCC(C1)N1CCOCC1
Show InChI InChI=1S/C26H26FN7O2/c27-19-5-1-3-17(14-28)24(19)20-13-22(25-21(30-20)15-29-26(25)35)34-8-6-23(31-34)33-7-2-4-18(16-33)32-9-11-36-12-10-32/h1,3,5-6,8,13,18H,2,4,7,9-12,15-16H2,(H,29,35)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463672
PNG
(US10781204, Compound I-150)
Show SMILES C[C@H]1[C@H](O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C22H19FN6O2/c1-12-18(30)5-7-28(12)19-6-8-29(27-19)17-9-15(26-16-11-25-22(31)21(16)17)20-13(10-24)3-2-4-14(20)23/h2-4,6,8-9,12,18,30H,5,7,11H2,1H3,(H,25,31)/t12-,18+/m0/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463582
PNG
(US10781204, Compound I-186 | US10781204, Compound ...)
Show SMILES CC1(O)CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C23H21FN6O2/c1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24/h2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31)
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0.0500n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463591
PNG
(US10781204, Compound I-111 | US10781204, Compound ...)
Show SMILES C[C@@]1(O)CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C23H21FN6O2/c1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24/h2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31)/t23-/m1/s1
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463596
PNG
(US10781204, Compound I-194 | US10781204, Compound ...)
Show SMILES OC1CCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C21H17FN6O2/c22-14-3-1-2-12(9-23)19(14)15-8-17(20-16(25-15)10-24-21(20)30)28-7-5-18(26-28)27-6-4-13(29)11-27/h1-3,5,7-8,13,29H,4,6,10-11H2,(H,24,30)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463605
PNG
(US10781204, Compound I-84)
Show SMILES NC1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F
Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM463682
PNG
(US10781204, Compound I-160)
Show SMILES OC1CN(CCC1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N
Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)
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Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10781204 (2020)

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


(Homo sapiens (Human))
BDBM50530394
PNG
(CHEMBL4561663)
Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25)
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50530394
PNG
(CHEMBL4561663)
Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25)
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50519523
PNG
(CHEMBL4440718)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526615
PNG
(CHEMBL4434711)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50519523
PNG
(CHEMBL4440718)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)/i1D3
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, Example 1-2 | US10519153, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0800n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, Example 1-2 | US10519153, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0800n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526606
PNG
(CHEMBL4532948)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1
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0.0860n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526624
PNG
(CHEMBL4443010)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N9O2/c1-12-5-8-18(27-26-12)29-9-3-4-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)28-17)20(31)24-13-6-7-13/h3-5,8-11,13,22H,6-7H2,1-2H3,(H,24,31)(H,25,28)
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0.0910n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


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


(Homo sapiens (Human))
BDBM50526617
PNG
(CHEMBL4435047)
Show SMILES CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28)
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526621
PNG
(CHEMBL4438107)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526603
PNG
(CHEMBL4293907)
Show SMILES CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-17-9-15(20-3)18-21-10-16(25(18)24-17)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26)
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526607
PNG
(CHEMBL4474801)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)nc3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-18(28-30-16(11-25-19(15)30)20(31)26-12-4-5-12)27-14-3-2-8-29(21(14)32)13-6-7-17(22)24-10-13/h2-3,6-12,23H,4-5H2,1H3,(H,26,31)(H,27,28)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526604
PNG
(CHEMBL4561123)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-17(28-30-16(11-25-19(15)30)20(31)26-13-5-6-13)27-14-3-2-8-29(21(14)32)18-7-4-12(22)10-24-18/h2-4,7-11,13,23H,5-6H2,1H3,(H,26,31)(H,27,28)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526610
PNG
(CHEMBL4453441)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C#N)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526616
PNG
(CHEMBL4579439)
Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28)
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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US Patent
0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM425494
PNG
(US10519153, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-
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US Patent
0.25n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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US Patent
0.25n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350095
PNG
(US10208040, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526605
PNG
(CHEMBL4438296)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CCC1
Show InChI InChI=1S/C22H22N8O2/c1-23-16-12-18(27-15-8-5-11-29(22(15)32)19-9-2-3-10-24-19)28-30-17(13-25-20(16)30)21(31)26-14-6-4-7-14/h2-3,5,8-14,23H,4,6-7H2,1H3,(H,26,31)(H,27,28)
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0.260n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


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


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
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