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Compile Data Set for Download or QSAR

Found 23 hits of ec50 for UniProtKB: A0A024R7E4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50530404
PNG
(CHEMBL4279883)
Show SMILES CNc1cc(Nc2cc(F)cc(F)c2OC)nn2c(cnc12)C(=O)NC[C@](C)(O)CO
Show InChI InChI=1S/C19H22F2N6O4/c1-19(30,9-28)8-24-18(29)14-7-23-17-13(22-2)6-15(26-27(14)17)25-12-5-10(20)4-11(21)16(12)31-3/h4-7,22,28,30H,8-9H2,1-3H3,(H,24,29)(H,25,26)/t19-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity 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))
BDBM50530404
PNG
(CHEMBL4279883)
Show SMILES CNc1cc(Nc2cc(F)cc(F)c2OC)nn2c(cnc12)C(=O)NC[C@](C)(O)CO
Show InChI InChI=1S/C19H22F2N6O4/c1-19(30,9-28)8-24-18(29)14-7-23-17-13(22-2)6-15(26-27(14)17)25-12-5-10(20)4-11(21)16(12)31-3/h4-7,22,28,30H,8-9H2,1-3H3,(H,24,29)(H,25,26)/t19-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity 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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n/an/an/an/a 6.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity 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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n/an/an/an/a 6.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity 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))
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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n/an/an/an/a 13n/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human whole blood assessed as reduction in IFN-alpha stimulated TYK2 phosphorylation


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))
BDBM50261269
PNG
(CHEMBL4092191)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ccn3)C#N)c2[nH]1
Show InChI InChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25)
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n/an/an/an/a 35n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261256
PNG
(CHEMBL4071399)
Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25)
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n/an/an/an/a 44n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261267
PNG
(CHEMBL4097446)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1
Show InChI InChI=1S/C23H22Cl2N8O/c24-15-2-1-3-16(25)20(15)22-29-17-4-5-26-23(21(17)31-22)30-18-10-19(28-13-27-18)33-8-6-32(7-9-33)14-11-34-12-14/h1-5,10,13-14H,6-9,11-12H2,(H,29,31)(H,26,27,28,30)
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n/an/an/an/a 59n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261273
PNG
(CHEMBL4076947)
Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
Show InChI InChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26)
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n/an/an/an/a 66n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261274
PNG
(CHEMBL4062680)
Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
Show InChI InChI=1S/C18H12Cl2N8/c1-22-13-6-14(25-8-24-13)27-18-16-12(2-3-23-18)26-17(28-16)15-10(19)4-9(7-21)5-11(15)20/h2-6,8H,1H3,(H,26,28)(H2,22,23,24,25,27)
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n/an/an/an/a 72n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261271
PNG
(CHEMBL4080904)
Show SMILES OCCN1CCN(CC1)c1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C22H22Cl2N8O/c23-14-2-1-3-15(24)19(14)21-28-16-4-5-25-22(20(16)30-21)29-17-12-18(27-13-26-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-13,33H,6-11H2,(H,28,30)(H,25,26,27,29)
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n/an/an/an/a 140n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261260
PNG
(CHEMBL4069942)
Show SMILES CN(C)c1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C18H15Cl2N7/c1-27(2)14-8-13(22-9-23-14)25-18-16-12(6-7-21-18)24-17(26-16)15-10(19)4-3-5-11(15)20/h3-9H,1-2H3,(H,24,26)(H,21,22,23,25)
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n/an/an/an/a 140n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261268
PNG
(CHEMBL4062758)
Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C17H12Cl2N6/c1-9-7-13(22-8-21-9)24-17-15-12(5-6-20-17)23-16(25-15)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
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n/an/an/an/a 170n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261270
PNG
(CHEMBL4093872)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCOCC3)c2[nH]1
Show InChI InChI=1S/C20H17Cl2N7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27)
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n/an/an/an/a 200n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261215
PNG
(CHEMBL2387223)
Show SMILES F[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(F)cc(cc2Cl)C#N)ccn1
Show InChI InChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m0/s1
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n/an/an/an/a 224n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-12 induced STAT4 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261255
PNG
(CHEMBL4084436)
Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C16H11Cl2N7/c17-8-2-1-3-9(18)13(8)15-23-10-4-5-20-16(14(10)25-15)24-12-6-11(19)21-7-22-12/h1-7H,(H,23,25)(H3,19,20,21,22,24)
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n/an/an/an/a 260n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261262
PNG
(CHEMBL4070262)
Show SMILES OC1CCN(CC1)c1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C21H19Cl2N7O/c22-13-2-1-3-14(23)18(13)20-27-15-4-7-24-21(19(15)29-20)28-16-10-17(26-11-25-16)30-8-5-12(31)6-9-30/h1-4,7,10-12,31H,5-6,8-9H2,(H,27,29)(H,24,25,26,28)
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n/an/an/an/a 360n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261276
PNG
(CHEMBL4092116)
Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1
Show InChI InChI=1S/C17H10Cl2N8/c18-9-3-8(6-20)4-10(19)14(9)16-25-11-1-2-22-17(15(11)27-16)26-13-5-12(21)23-7-24-13/h1-5,7H,(H,25,27)(H3,21,22,23,24,26)
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n/an/an/an/a 450n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261261
PNG
(CHEMBL4075453)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCCC3)c2[nH]1
Show InChI InChI=1S/C20H17Cl2N7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27)
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n/an/an/an/a 520n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261215
PNG
(CHEMBL2387223)
Show SMILES F[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(F)cc(cc2Cl)C#N)ccn1
Show InChI InChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) assessed as reduction in EPO-mediated STAT5 phosphorylation by cell based readout assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
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n/an/an/an/a>2.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 by cellular assay


Proc Natl Acad Sci U S A 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261257
PNG
(CHEMBL4099854)
Show SMILES COc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261272
PNG
(CHEMBL4105148)
Show SMILES Cc1nccc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)n1
Show InChI InChI=1S/C17H12Cl2N6/c1-9-20-8-6-13(22-9)24-17-15-12(5-7-21-17)23-16(25-15)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
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n/an/an/an/a 9.40E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair