Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: P29597   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127657 (US10251889, Example 30 | US10758542, Example 30 | ...) Show SMILES NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H15F2N5O/c18-10-3-4-13(19)11(8-10)14-2-1-6-23(14)15-5-7-24-17(22-15)12(9-21-24)16(20)25/h3-5,7-9,14H,1-2,6H2,(H2,20,25)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127679 (US10251889, Example 52 | US10758542, Example 52 | ...) Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C19H19FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-11,14,16H,1-4,6H2,(H,23,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127767 (US10251889, Example 140 | US10758542, Example 140 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:9.9,27.29,(-7.78,2.63,;-6.29,2.23,;-5.21,3.32,;-5.6,4.81,;-4.51,5.9,;-3.03,5.5,;-1.94,6.59,;-2.63,4.01,;-3.72,2.92,;-3.32,1.43,;-4.22,.19,;-3.32,-1.06,;-1.85,-.58,;-1.85,.96,;-.52,1.73,;-.52,3.27,;.81,4.04,;2.15,3.27,;3.61,3.74,;4.52,2.5,;3.61,1.25,;4.01,-.24,;2.92,-1.33,;5.5,-.64,;5.9,-2.12,;7.38,-2.52,;7.78,-4.01,;6.69,-5.1,;7.09,-6.59,;5.21,-4.7,;4.81,-3.21,;2.15,1.73,;.81,.96,)| Show InChI InChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127720 (US10251889, Example 93 | US10758542, Example 93 | ...) Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r| Show InChI InChI=1S/C19H21FN6O/c1-12(2)23-19(27)15-11-22-26-7-5-17(24-18(15)26)25-6-3-4-16(25)13-8-14(20)10-21-9-13/h5,7-12,16H,3-4,6H2,1-2H3,(H,23,27)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127733 (US10251889, Example 106 | US10758542, Example 106 ...) Show SMILES Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1 Show InChI InChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127741 (US10251889, Example 114 | US10758542, Example 114 ...) Show SMILES CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 Show InChI InChI=1S/C17H17FN6O/c1-19-17(25)13-10-21-24-6-4-15(22-16(13)24)23-5-2-3-14(23)11-7-12(18)9-20-8-11/h4,6-10,14H,2-3,5H2,1H3,(H,19,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127821 (US10251889, Example 195 | US10758542, Example 194 ...) Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)| Show InChI InChI=1S/C23H27FN6O2/c1-14-18(11-15(24)12-25-14)20-3-2-9-29(20)21-8-10-30-22(28-21)19(13-26-30)23(32)27-16-4-6-17(31)7-5-16/h8,10-13,16-17,20,31H,2-7,9H2,1H3,(H,27,32)/t16?,17-,20?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127718 (US10251889, Example 91 | US10758542, Example 91 | ...) Show SMILES CC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r| Show InChI InChI=1S/C20H21FN6O/c1-20(5-6-20)25-19(28)15-12-23-27-8-4-17(24-18(15)27)26-7-2-3-16(26)13-9-14(21)11-22-10-13/h4,8-12,16H,2-3,5-7H2,1H3,(H,25,28)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127750 (US10251889, Example 123 | US10758542, Example 123 ...) Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r| Show InChI InChI=1S/C21H23FN6O/c1-13(14-4-5-14)25-21(29)17-12-24-28-8-6-19(26-20(17)28)27-7-2-3-18(27)15-9-16(22)11-23-10-15/h6,8-14,18H,2-5,7H2,1H3,(H,25,29)/t13-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127751 (US10251889, Example 124 | US10758542, Example 124 ...) Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r| Show InChI InChI=1S/C21H23FN6O/c1-13(14-4-5-14)25-21(29)17-12-24-28-8-6-19(26-20(17)28)27-7-2-3-18(27)15-9-16(22)11-23-10-15/h6,8-14,18H,2-5,7H2,1H3,(H,25,29)/t13-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127817 (US10758542, Example 190 | US8791123, 190 | US97824...) Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3(C)CC3)c2n1 Show InChI InChI=1S/C21H23FN6O/c1-13-15(10-14(22)11-23-13)17-4-3-8-27(17)18-5-9-28-19(25-18)16(12-24-28)20(29)26-21(2)6-7-21/h5,9-12,17H,3-4,6-8H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127725 (US10251889, Example 98 | US10758542, Example 98 | ...) Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H18F4N6O/c21-13-8-12(9-25-10-13)15-2-1-6-29(15)16-3-7-30-17(27-16)14(11-26-30)18(31)28-19(4-5-19)20(22,23)24/h3,7-11,15H,1-2,4-6H2,(H,28,31)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [886-1187] (Homo sapiens (Human))	BDBM127808 (US8791123, 181 | US9782415, Example 181) Show SMILES Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O/c1-12-15(9-13(21)10-22-12)17-3-2-7-26(17)18-6-8-27-19(25-18)16(11-23-27)20(28)24-14-4-5-14/h6,8-11,14,17H,2-5,7H2,1H3,(H,24,28)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair