Compile Data Set for Download or QSAR

Found 681 hits with Last Name = 'dermenci' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305808 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305808 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305831 (2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...) Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305808 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305808 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305831 (2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...) Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305808 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305831 (2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...) Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305831 (2-((1r,3s)-1-(4-(6-(3-Amino-1H-pyrazol-5-yl)pyrazo...) Show SMILES CO[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cc(N)[nH]n1 |r,wU:4.9,wD:2.1,(-.8,7.41,;-2.13,6.64,;-2.13,5.1,;-3.22,4.01,;-2.13,2.93,;-2.9,1.59,;-4.44,1.59,;-5.98,1.59,;-1.04,4.01,;-1.36,1.59,;-1.84,.13,;-.59,-.78,;.65,.13,;.18,1.59,;-.59,-2.32,;.74,-3.09,;.74,-4.63,;-.59,-5.4,;-1.93,-4.63,;-3.39,-5.1,;-4.3,-3.86,;-3.39,-2.61,;-1.93,-3.09,;2.07,-5.4,;3.54,-4.92,;4.44,-6.17,;5.98,-6.17,;3.54,-7.41,;2.07,-6.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305812 (2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)| Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305812 (2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)| Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50548375 (CHEMBL4781984) Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cn[nH]c1 |r,wU:3.9,5.7,(6.81,-9.79,;8.35,-9.8,;9.89,-9.82,;10.68,-8.49,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,;11.57,-9.73,;11.09,-11.19,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;12.34,-13.65,;13.67,-14.42,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;15.01,-16.73,;15.17,-18.25,;16.67,-18.58,;17.44,-17.24,;16.42,-16.1,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305812 (2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)| Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305810 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305810 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305812 (2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)| Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305810 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305812 (2,2′-((1s,3s)-1-(4-(6-(1-Methyl-1H-pyrazol-4...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@H](CC#N)C1 |r,wD:20.23,25.29,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;3.62,13.21,;2.19,13.76,;.75,14.31,;5.11,10.78,)| Show InChI InChI=1S/C21H19N9/c1-28-12-16(10-25-28)18-14-29-19(3-7-24-29)20(27-18)17-11-26-30(13-17)21(4-6-23)8-15(9-21)2-5-22/h3,7,10-15H,2,4,8-9H2,1H3/t15-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305810 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305820 ((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wD:20.23,25.31,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305824 ((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50548373 (CHEMBL4791733) Show SMILES N#CC[C@]1(C[C@@H](C1)C#N)n1cc(cn1)-c1nc(cn2nccc12)-c1cc[nH]n1 |r,wU:3.9,5.7,(6.81,-9.79,;8.35,-9.8,;9.89,-9.82,;10.68,-8.49,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,;11.57,-9.73,;11.09,-11.19,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;12.34,-13.65,;13.67,-14.42,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;15.01,-16.73,;15.17,-18.25,;16.67,-18.58,;17.44,-17.24,;16.42,-16.1,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305824 ((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305824 ((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305824 ((1r,3r)-3-(4-(6-(3-Amino-1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(c(N)n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:21.24,wD:26.32,(7.49,-1.96,;6.87,-.55,;5.36,-.23,;5.2,1.3,;6.6,1.93,;6.92,3.44,;7.64,.78,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;1.2,3.61,;2.53,4.38,;3.86,3.61,;2.53,5.92,;1.28,6.83,;1.76,8.29,;3.3,8.29,;3.78,6.83,;4.21,9.54,;5.45,8.63,;5.29,7.1,;5.13,5.57,;2.96,10.44,;3.86,11.69,;5.11,10.78,;3.62,13.21,;3.38,14.73,)| Show InChI InChI=1S/C20H18N10/c1-28-11-15(19(23)27-28)16-12-29-17(2-5-24-29)18(26-16)14-9-25-30(10-14)20(3-4-21)6-13(7-20)8-22/h2,5,9-13H,3,6-7H2,1H3,(H2,23,27)/t13-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50548379 (CHEMBL4778704) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC(F)(F)F)C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50548371 (CHEMBL4777969) Show SMILES Cn1ccc(n1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,25.31,(18.97,-17.08,;17.44,-17.24,;16.67,-18.58,;15.17,-18.25,;15.01,-16.73,;16.42,-16.1,;13.67,-15.96,;12.34,-16.73,;11.01,-15.96,;9.54,-16.43,;8.64,-15.19,;9.54,-13.94,;11.01,-14.42,;12.34,-13.65,;13.67,-14.42,;12.34,-12.11,;13.59,-11.19,;13.11,-9.73,;11.57,-9.73,;11.09,-11.19,;10.68,-8.49,;9.89,-9.82,;8.35,-9.8,;6.81,-9.79,;10.92,-6.97,;9.4,-6.73,;9.15,-8.25,;8.49,-5.48,;7.59,-4.24,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305835 ((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)| Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305809 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305835 ((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)| Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305809 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305835 ((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)| Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305809 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305835 ((1s,3s)-3-(Cyanomethyl)-1-methyl-3-(4-(6-(1-methyl...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@](C)(C1)C#N |r,wU:20.23,25.32,wD:25.29,(6.7,-5.14,;5.16,-5.14,;4.26,-3.89,;2.79,-4.37,;2.79,-5.91,;4.26,-6.38,;1.46,-3.6,;.12,-4.37,;-1.21,-3.6,;-2.67,-4.07,;-3.58,-2.83,;-2.67,-1.58,;-1.21,-2.06,;.12,-1.29,;1.46,-2.06,;.12,.25,;1.37,1.16,;.89,2.62,;-.65,2.62,;-1.12,1.16,;-1.74,3.71,;-.2,3.71,;.57,5.05,;1.34,6.38,;-3.22,3.32,;-3.62,4.8,;-4.39,6.14,;-2.13,5.2,;-5.16,4.8,;-6.7,4.8,)| Show InChI InChI=1S/C21H19N9/c1-20(14-23)12-21(13-20,4-5-22)30-10-16(8-26-30)19-18-3-6-24-29(18)11-17(27-19)15-7-25-28(2)9-15/h3,6-11H,4,12-13H2,1-2H3/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305809 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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 US10822341 (2020) BindingDB Entry DOI: 10.7270/Q2G163XX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305821 ((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305817 (2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...) Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)| Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305821 ((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43XB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305817 (2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...) Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)| Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00948 BindingDB Entry DOI: 10.7270/Q23N270R
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305821 ((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305817 (2-((1s,3r)-3-Methoxy-1-(4-(6-(1-methyl-1H-pyrazol-...) Show SMILES CO[C@H]1C[C@](CC#N)(C1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1 |r,wU:2.1,4.9,(5.78,11.69,;7.21,11.14,;7.46,9.62,;8.7,8.71,;7.8,7.47,;9.04,6.56,;8.88,5.03,;8.72,3.5,;6.55,8.37,;6.89,6.22,;7.37,4.76,;6.12,3.85,;4.87,4.76,;5.35,6.22,;6.12,2.31,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;8.79,-.77,;10.19,-.14,;11.23,-1.29,;10.46,-2.62,;11.08,-4.03,;8.95,-2.3,)| Show InChI InChI=1S/C20H20N8O/c1-26-11-14(9-23-26)17-13-27-18(3-6-22-27)19(25-17)15-10-24-28(12-15)20(4-5-21)7-16(8-20)29-2/h3,6,9-13,16H,4,7-8H2,1-2H3/t16-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair

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