Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1526   

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))	BDBM329926 (US10463675, Example 9 | US10980815, Ex. No. 9 | US...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1 |r,THB:25:24:17.18.23:21.20| Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329989 (US10463675, Example 72 | US10980815, Ex. No. 72 | ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C(F)(F)F)cc1C |r,THB:25:24:17.18.23:21.20| Show InChI InChI=1S/C22H24F4N6O2/c1-3-27-19(33)16-7-4-13(8-12(16)2)29-21-28-9-17(23)18(30-21)31-10-14-5-6-15(11-31)32(14)20(34)22(24,25)26/h4,7-9,14-15H,3,5-6,10-11H2,1-2H3,(H,27,33)(H,28,29,30)/t14-,15+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329971 (US10463675, Example 54 | US10980815, Ex. No. 54 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2(C)COC2)cc1C |r,TLB:13:15:22:19.18| Show InChI InChI=1S/C23H31N7O2/c1-15-8-16(9-26-20(15)21(31)24-3)27-22-25-7-6-19(28-22)29-10-17-4-5-18(11-29)30(17)12-23(2)13-32-14-23/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,24,31)(H,25,27,28)/t17-,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330006 (US10463675, Example 89 | US10980815, Ex. No. 89 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C21H25F3N8O2/c1-12-7-13(8-27-17(12)18(33)25-2)29-19-26-6-5-16(30-19)31-9-14-3-4-15(10-31)32(14)20(34)28-11-21(22,23)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,25,33)(H,28,34)(H,26,29,30)/t14-,15+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329968 (US10463675, Example 51 | US10980815, Ex. No. 51 | ...) Show SMILES FC1(F)C[C@H]1C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:5:7:13.14.12:10.9| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330000 (US9663526, Example 83) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C2(C[N+]#[C-])CN(C2)S(C)(=O)=O)cn1 |r,TLB:9:11:18:15.14| Show InChI InChI=1S/C20H27N9O2S/c1-21-12-20(13-28(14-20)32(3,30)31)29-16-4-5-17(29)11-27(10-16)18-6-7-22-19(25-18)24-15-8-23-26(2)9-15/h6-9,16-17H,4-5,10-14H2,2-3H3,(H,22,24,25)/t16-,17+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329930 (US10463675, Example 13 | US10980815, Ex. No. 13 | ...) Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19| Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330007 (US10463675, Example 90 | US10980815, Ex. No. 90 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C21H25N9O2/c1-13-9-14(10-26-18(13)19(31)23-2)27-20-24-7-5-17(28-20)29-11-15-3-4-16(12-29)30(15)21(32)25-8-6-22/h5,7,9-10,15-16H,3-4,8,11-12H2,1-2H3,(H,23,31)(H,25,32)(H,24,27,28)/t15-,16+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329950 (US10463675, Example 33 | US10980815, Ex. No. 33 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329949 (US10463675, Example 32 | US10980815, Ex. No. 32 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C23H26N8O2/c1-13-7-15(10-27-20(13)21(32)25-2)28-23-26-6-5-19(29-23)30-11-16-3-4-17(12-30)31(16)22(33)18-8-14(18)9-24/h5-7,10,14,16-18H,3-4,8,11-12H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,16-,17+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329962 (US10463675, Example 45 | US10980815, Ex. No. 45 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H26FN7O2/c1-12-7-13(9-26-19(12)20(31)24-2)27-22-25-6-5-18(28-22)29-10-14-3-4-15(11-29)30(14)21(32)16-8-17(16)23/h5-7,9,14-17H,3-4,8,10-11H2,1-2H3,(H,24,31)(H,25,27,28)/t14-,15+,16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329990 (US10463675, Example 73 | US10980815, Ex. No. 73 | ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1C |r,THB:25:24:17.18.23:21.20| Show InChI InChI=1S/C25H33FN6O3/c1-6-27-22(33)19-10-7-16(11-15(19)2)29-23-28-12-20(26)21(30-23)31-13-17-8-9-18(14-31)32(17)24(34)35-25(3,4)5/h7,10-12,17-18H,6,8-9,13-14H2,1-5H3,(H,27,33)(H,28,29,30)/t17-,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329978 (US10463675, Example 61 | US10980815, Ex. No. 61 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H](C2)C#N)cc1C |r,wU:23.25,wD:17.24,20.23,25.30,THB:23:22:15.16.21:19.18,(4.67,-6.48,;4.67,-4.94,;3.33,-4.17,;3.33,-2.63,;2,-4.94,;.67,-4.17,;-.67,-4.94,;-.67,-6.48,;-2,-7.25,;-3.33,-6.48,;-4.67,-7.25,;-6,-6.48,;-6,-4.94,;-4.67,-4.17,;-3.33,-4.94,;-4.67,-2.63,;-3.33,-1.86,;-3.33,-.32,;-3.89,-1.29,;-5.43,-1.29,;-6,-.32,;-6,-1.86,;-4.67,.45,;-4.67,1.99,;-5.76,3.08,;-4.67,4.19,;-3.58,3.08,;-4.67,5.73,;-4.67,7.27,;.67,-7.25,;2.05,-6.51,;3.38,-7.28,)| Show InChI InChI=1S/C23H28N8O/c1-14-7-16(11-27-21(14)22(32)25-2)28-23-26-6-5-20(29-23)30-12-17-3-4-18(13-30)31(17)19-8-15(9-19)10-24/h5-7,11,15,17-19H,3-4,8-9,12-13H2,1-2H3,(H,25,32)(H,26,28,29)/t15-,17-,18+,19-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330015 (US9663526, Example 98) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1C[C@@H]1[N+]#[C-])c1nc(Nc2ccc(OCCO)nc2)ncc1C |r| Show InChI InChI=1S/C23H27N7O3/c1-13-9-26-22(27-15-4-5-19(25-10-15)33-7-6-31)28-20(13)30-11-17-14(2)23(17,12-30)29-21(32)16-8-18(16)24-3/h4-5,9-10,14,16-18,31H,6-8,11-12H2,1-2H3,(H,29,32)(H,26,27,28)/t14-,16+,17+,18+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330033 (US10463675, Example 116 | US10980815, Ex. No. 116 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(F)(F)F)cc1C Show InChI InChI=1S/C21H22F4N6O2/c1-3-26-18(32)15-5-4-12(6-11(15)2)28-20-27-8-16(22)17(29-20)30-9-13-7-14(10-30)31(13)19(33)21(23,24)25/h4-6,8,13-14H,3,7,9-10H2,1-2H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330024 (US10463675, Example 107 | US10980815, Ex. No. 107 ...) Show SMILES OCCn1cc(Nc2ncc(Cl)c(n2)N2CC3C[C@]3(C2)NC(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C18H22ClN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330029 (US10463675, Example 112 | US11197867, Example 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(C)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C23H28F2N6O2/c1-5-26-20(32)17-7-6-14(8-13(17)2)28-22-27-10-18(24)19(29-22)30-11-15-9-16(12-30)31(15)21(33)23(3,4)25/h6-8,10,15-16H,5,9,11-12H2,1-4H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329927 (US10463675, Example 10 | US10980815, Ex. No. 10 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1Cl |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C21H22ClF2N7O2/c1-25-18(32)17-15(22)6-11(8-27-17)28-20-26-5-4-16(29-20)30-9-12-2-3-13(10-30)31(12)19(33)14-7-21(14,23)24/h4-6,8,12-14H,2-3,7,9-10H2,1H3,(H,25,32)(H,26,28,29)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329982 (US10463675, Example 66 | US10980815, Ex. No. 66 | ...) Show SMILES FC1(F)CC1CN1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:5:6:12.13.11:9.8| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329984 (US10463675, Example 68 | US10980815, Ex. No. 68 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3CC2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H27F2N7O/c1-13-7-15(9-27-19(13)20(32)25-2)28-21-26-6-5-18(29-21)30-11-16-3-4-17(12-30)31(16)10-14-8-22(14,23)24/h5-7,9,14,16-17H,3-4,8,10-12H2,1-2H3,(H,25,32)(H,26,28,29)/t14?,16-,17+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329924 (US10463675, Example 7 | US10980815, Ex. No. 7 | US...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	23	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329952 (US10463675, Example 35 | US10980815, Ex. No. 35 | ...) Show SMILES Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cnc1C(N)=O |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C21H23F2N7O2/c1-11-6-12(8-26-17(11)18(24)31)27-20-25-5-4-16(28-20)29-9-13-2-3-14(10-29)30(13)19(32)15-7-21(15,22)23/h4-6,8,13-15H,2-3,7,9-10H2,1H3,(H2,24,31)(H,25,27,28)/t13-,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329972 (US10463675, Example 55 | US10980815, Ex. No. 55 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccns2)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H22N8S/c1-24-9-13(8-20-24)22-18-19-6-5-17(23-18)25-10-14-2-3-15(11-25)26(14)12-16-4-7-21-27-16/h4-9,14-15H,2-3,10-12H2,1H3,(H,19,22,23)/t14-,15+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329970 (US10463675, Example 53 | US10980815, Ex. No. 53 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccno2)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H26N8O2/c1-14-9-15(10-25-20(14)21(31)23-2)27-22-24-7-6-19(28-22)29-11-16-3-4-17(12-29)30(16)13-18-5-8-26-32-18/h5-10,16-17H,3-4,11-13H2,1-2H3,(H,23,31)(H,24,27,28)/t16-,17+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329943 (US10463675, Example 26 | US10980815, Ex. No. 26 | ...) Show SMILES CC(C)(C#N)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:24:23:16.17.22:20.19| Show InChI InChI=1S/C23H25F2N7O/c1-22(2,13-26)18-6-3-14(10-28-18)29-21-27-8-7-19(30-21)31-11-15-4-5-16(12-31)32(15)20(33)17-9-23(17,24)25/h3,6-8,10,15-17H,4-5,9,11-12H2,1-2H3,(H,27,29,30)/t15-,16+,17-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330016 (US10463675, Example 99 | US10980815, Ex. No. 99 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(c2)C2COC2)ncc1F |r| Show InChI InChI=1S/C20H22F3N7O2/c1-10-14-6-29(9-19(10,14)28-17(31)13-2-20(13,22)23)16-15(21)4-24-18(27-16)26-11-3-25-30(5-11)12-7-32-8-12/h3-5,10,12-14H,2,6-9H2,1H3,(H,28,31)(H,24,26,27)/t10-,13+,14+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329929 (US10463675, Example 12 | US10980815, Ex. No. 12 | ...) Show SMILES C[C@H](CO)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cn1 |r,TLB:13:15:22:19.18| Show InChI InChI=1S/C22H26F2N6O2/c1-13(12-31)18-5-2-14(9-26-18)27-21-25-7-6-19(28-21)29-10-15-3-4-16(11-29)30(15)20(32)17-8-22(17,23)24/h2,5-7,9,13,15-17,31H,3-4,8,10-12H2,1H3,(H,25,27,28)/t13-,15-,16+,17?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330010 (US10463675, Example 93 | US10980815, Ex. No. 93 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	28	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329945 (US10463675, Example 29 | US10980815, Ex. No. 29 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cc1F |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C21H22F3N7O2/c1-25-18(32)17-15(22)6-11(8-27-17)28-20-26-5-4-16(29-20)30-9-12-2-3-13(10-30)31(12)19(33)14-7-21(14,23)24/h4-6,8,12-14H,2-3,7,9-10H2,1H3,(H,25,32)(H,26,28,29)/t12-,13+,14?	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329941 (US10463675, Example 24 | US10980815, Ex. No. 24 | ...) Show SMILES CCn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cn1 |r,THB:20:19:12.13.18:16.15| Show InChI InChI=1S/C20H24N8O/c1-2-27-10-14(9-23-27)24-20-22-6-5-18(25-20)26-11-15-3-4-16(12-26)28(15)19(29)17-7-13(17)8-21/h5-6,9-10,13,15-17H,2-4,7,11-12H2,1H3,(H,22,24,25)/t13-,15-,16+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329948 (US10463675, Example 31 | US10980815, Ex. No. 31 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2C#N)cc1Cl |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H23ClN8O2/c1-25-20(32)19-17(23)7-13(9-27-19)28-22-26-5-4-18(29-22)30-10-14-2-3-15(11-30)31(14)21(33)16-6-12(16)8-24/h4-5,7,9,12,14-16H,2-3,6,10-11H2,1H3,(H,25,32)(H,26,28,29)/t12-,14-,15+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330034 (US10463675, Example 117 | US10980815, Ex. No. 117 ...) Show SMILES NC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:22:21:14.15.20:18.17| Show InChI InChI=1S/C20H20F3N7O2/c21-14-5-10(7-26-16(14)17(24)31)27-19-25-4-3-15(28-19)29-8-11-1-2-12(9-29)30(11)18(32)13-6-20(13,22)23/h3-5,7,11-13H,1-2,6,8-9H2,(H2,24,31)(H,25,27,28)/t11-,12+,13-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329942 (US10463675, Example 25 | US10980815, Ex. No. 25 | ...) Show SMILES OCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:21:20:13.14.19:17.16| Show InChI InChI=1S/C20H21F3N6O2/c21-15-5-11(7-25-16(15)10-30)26-19-24-4-3-17(27-19)28-8-12-1-2-13(9-28)29(12)18(31)14-6-20(14,22)23/h3-5,7,12-14,30H,1-2,6,8-10H2,(H,24,26,27)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329996 (US10463675, Example 79 | US10980815, Ex. No. 79 | ...) Show SMILES N#CCCN1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:3:4:10.11.9:7.6| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330012 (US9663526, Example 95) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1[N+]#[C-])c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C19H21FN8O/c1-10-13-8-28(9-19(10,13)26-17(29)12-4-15(12)21-2)16-14(20)6-22-18(25-16)24-11-5-23-27(3)7-11/h5-7,10,12-13,15H,4,8-9H2,1,3H3,(H,26,29)(H,22,24,25)/t10-,12-,13+,15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329923 (US10463675, Example 6 | US10980815, Ex. No. 6 | US...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C |r,TLB:13:15:22:19.18| Show InChI InChI=1S/C22H27N7O2/c1-13-9-15(10-25-19(13)20(30)23-2)26-22-24-8-7-18(27-22)28-11-16-5-6-17(12-28)29(16)21(31)14-3-4-14/h7-10,14,16-17H,3-6,11-12H2,1-2H3,(H,23,30)(H,24,26,27)/t16-,17+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329951 (US10463675, Example 34 | US10980815, Ex. No. 34 | ...) Show SMILES Cc1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cnc1C(N)=O |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C21H23F2N7O2/c1-11-6-12(8-26-17(11)18(24)31)27-20-25-5-4-16(28-20)29-9-13-2-3-14(10-29)30(13)19(32)15-7-21(15,22)23/h4-6,8,13-15H,2-3,7,9-10H2,1H3,(H2,24,31)(H,25,27,28)/t13-,14+,15?	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330008 (US10463675, Example 91 | US10980815, Ex. No. 91 | ...) Show SMILES CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnc(C(=O)NC)c(C)c2)n1 |r,THB:3:5:11.12.10:8.7| Show InChI InChI=1S/C21H28N8O2/c1-4-23-21(31)29-15-5-6-16(29)12-28(11-15)17-7-8-24-20(27-17)26-14-9-13(2)18(25-10-14)19(30)22-3/h7-10,15-16H,4-6,11-12H2,1-3H3,(H,22,30)(H,23,31)(H,24,26,27)/t15-,16+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329928 (US10463675, Example 11 | US10980815, Ex. No. 11 | ...) Show SMILES C[C@@H](CO)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2(F)F)cn1 |r,TLB:13:15:22:19.18| Show InChI InChI=1S/C22H26F2N6O2/c1-13(12-31)18-5-2-14(9-26-18)27-21-25-7-6-19(28-21)29-10-15-3-4-16(11-29)30(15)20(32)17-8-22(17,23)24/h2,5-7,9,13,15-17,31H,3-4,8,10-12H2,1H3,(H,25,27,28)/t13-,15-,16+,17?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329922 (US10463675, Example 5 | US10980815, Ex. No. 5 | US...) Show SMILES CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:3:5:11.12.10:8.7| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329973 (N-(1-methyl-1H-pyrazol- | US10463675, Example 56 |...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3Cc2ccno2)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H22N8O/c1-24-9-13(8-20-24)22-18-19-6-5-17(23-18)25-10-14-2-3-15(11-25)26(14)12-16-4-7-21-27-16/h4-9,14-15H,2-3,10-12H2,1H3,(H,19,22,23)/t14-,15+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329981 (US10463675, Example 64 | US10980815, Ex. No. 64 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C18H23F2N7/c1-25-9-13(7-22-25)23-17-21-5-4-16(24-17)26-10-14-2-3-15(11-26)27(14)8-12-6-18(12,19)20/h4-5,7,9,12,14-15H,2-3,6,8,10-11H2,1H3,(H,21,23,24)/t12-,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329966 (US10463675, Example 49 | US10980815, Ex. No. 49 | ...) Show SMILES O=C(C1CC1)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cn[nH]c2)n1 |r,THB:1:5:11.12.10:8.7| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330026 (US10463675, Example 109 | US10980815, Ex. No. 109 ...) Show SMILES Cn1cc(Nc2ncc(F)c(n2)N2C[C@@]3(CO)C[C@]3(C2)NC(=O)[C@@H]2CC2(F)F)cn1 |r| Show InChI InChI=1S/C18H20F3N7O2/c1-27-5-10(3-23-27)24-15-22-4-12(19)13(25-15)28-7-16(9-29)6-17(16,8-28)26-14(30)11-2-18(11,20)21/h3-5,11,29H,2,6-9H2,1H3,(H,26,30)(H,22,24,25)/t11-,16+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329936 (US10463675, Example 19 | US10980815, Ex. No. 19 | ...) Show SMILES OCCc1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:22:21:14.15.20:18.17| Show InChI InChI=1S/C21H23F3N6O2/c22-16-7-12(9-26-17(16)4-6-31)27-20-25-5-3-18(28-20)29-10-13-1-2-14(11-29)30(13)19(32)15-8-21(15,23)24/h3,5,7,9,13-15,31H,1-2,4,6,8,10-11H2,(H,25,27,28)/t13-,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329939 (US10463675, Example 22 | US10980815, Ex. No. 22 | ...) Show SMILES OC1CN(C1)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:24:23:16.17.22:20.19| Show InChI InChI=1S/C22H24F3N7O2/c23-17-5-12(7-27-19(17)31-10-15(33)11-31)28-21-26-4-3-18(29-21)30-8-13-1-2-14(9-30)32(13)20(34)16-6-22(16,24)25/h3-5,7,13-16,33H,1-2,6,8-11H2,(H,26,28,29)/t13-,14+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330011 (US10463675, Example 94 | US10980815, Ex. No. 94 | ...) Show SMILES C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r| Show InChI InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11-,12+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330028 (US10463675, Example 111 | US10980815, Ex. No. 112 ...) Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2CC3CC(C2)N3C(=O)C(C)(F)F)cc1C |THB:15:17:23:20| Show InChI InChI=1S/C22H25F3N6O2/c1-4-26-19(32)16-6-5-13(7-12(16)2)28-21-27-9-17(23)18(29-21)30-10-14-8-15(11-30)31(14)20(33)22(3,24)25/h5-7,9,14-15H,4,8,10-11H2,1-3H3,(H,26,32)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM329937 (US10463675, Example 20 | US10980815, Ex. No. 20 | ...) Show SMILES O[C@H]1CCN(C1)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1F |r,THB:25:24:17.18.23:21.20| Show InChI InChI=1S/C23H26F3N7O2/c24-18-7-13(9-28-20(18)31-6-4-16(34)12-31)29-22-27-5-3-19(30-22)32-10-14-1-2-15(11-32)33(14)21(35)17-8-23(17,25)26/h3,5,7,9,14-17,34H,1-2,4,6,8,10-12H2,(H,27,29,30)/t14-,15+,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	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 US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair

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