Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 9780   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM333120 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333120 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333145 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(5-et...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431914 (US10550118, Example 8-21 | US10954237, Example 8-2...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431913 (US10550118, Example 8-20 | US10954237, Example 8-2...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431910 (US10550118, Example 8-17 | US10954237, Example 8-1...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488306 (US10954237, Example 8-9) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C29H32FN7O2/c1-6-16-10-25(38)20(30)11-19(16)17-7-8-18-21(9-17)33-34-26(18)27-31-22-12-24(36(5)13-23(22)32-27)28(39)37-14-29(2,15-37)35(3)4/h7-11,24,38H,6,12-15H2,1-5H3/b27-26-/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488298 (US10954237, Example 8-1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N1CCCCC1 |r| Show InChI InChI=1S/C31H34FN7O2/c1-3-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(37(2)17-26(25)34-30)31(41)39-15-20(16-39)38-9-5-4-6-10-38/h7-8,11-13,20,27,40H,3-6,9-10,14-17H2,1-2H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333121 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-9-37-16-25-24(13-26(37)30(40)38-14-19(15-38)36(3)4)32-29(33-25)28-20-8-7-18(10-23(20)34-35-28)21-12-22(31)27(39)11-17(21)6-2/h7-8,10-12,19,26,39H,5-6,9,13-16H2,1-4H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431909 (US10550118, Example 8-16 | US10947229, Example C-4...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-7-18-11-27(40)22(32)12-21(18)19-8-9-20-23(10-19)35-36-28(20)29-33-24-13-26(39(17(2)3)14-25(24)34-29)30(41)38-15-31(4,16-38)37(5)6/h8-12,17,26,40H,7,13-16H2,1-6H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333144 ((S)-(3-(dimethylamino)azetidin-1-yl)(5-ethyl-2-(6-...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431906 (US10550118, Example 8-13 | US10550118, Example 8-1...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333120 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488303 (US10954237, Example 8-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N1CCCCC1 |r| Show InChI InChI=1S/C33H38FN7O2/c1-4-20-13-30(42)25(34)14-24(20)21-8-9-23-26(12-21)37-38-31(23)32-35-27-15-29(41(19(2)3)18-28(27)36-32)33(43)40-16-22(17-40)39-10-6-5-7-11-39/h8-9,12-14,19,22,29,42H,4-7,10-11,15-18H2,1-3H3/b32-31-/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333122 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(2-(6...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488300 (US10954237, Example 8-3) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)NC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-4-8-36-15-24-23(12-25(36)29(39)37-13-18(14-37)31-3)32-28(33-24)27-19-7-6-17(9-22(19)34-35-27)20-11-21(30)26(38)10-16(20)5-2/h6-7,9-11,18,25,31,38H,4-5,8,12-15H2,1-3H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488299 (US10954237, Example 8-2) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C28H30FN7O2/c1-5-15-9-25(37)20(29)10-19(15)16-6-7-18-21(8-16)32-33-26(18)27-30-22-11-24(35(4)14-23(22)31-27)28(38)36-12-17(13-36)34(2)3/h6-10,17,24,37H,5,11-14H2,1-4H3/b27-26-/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333145 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(5-et...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM488302 (US10954237, Example 8-5) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C33H38FN7O2/c1-3-10-40-19-28-27(16-29(40)33(43)41-17-22(18-41)39-11-6-5-7-12-39)35-32(36-28)31-23-9-8-21(13-26(23)37-38-31)24-15-25(34)30(42)14-20(24)4-2/h8-9,13-15,22,29,42H,3-7,10-12,16-19H2,1-2H3/b32-31-/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333144 ((S)-(3-(dimethylamino)azetidin-1-yl)(5-ethyl-2-(6-...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431909 (US10550118, Example 8-16 | US10947229, Example C-4...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-7-18-11-27(40)22(32)12-21(18)19-8-9-20-23(10-19)35-36-28(20)29-33-24-13-26(39(17(2)3)14-25(24)34-29)30(41)38-15-31(4,16-38)37(5)6/h8-12,17,26,40H,7,13-16H2,1-6H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431911 (US10550118, Example 8-18 | US10954237, Example 8-1...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-7-18-11-27(40)22(32)12-21(18)19-8-9-20-23(10-19)35-36-28(20)29-33-24-13-26(39(17(2)3)14-25(24)34-29)30(41)38-15-31(4,16-38)37(5)6/h8-12,17,26,40H,7,13-16H2,1-6H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333120 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM333122 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(2-(6...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431906 (US10550118, Example 8-13 | US10550118, Example 8-1...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333121 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-5-9-37-16-25-24(13-26(37)30(40)38-14-19(15-38)36(3)4)32-29(33-25)28-20-8-7-18(10-23(20)34-35-28)21-12-22(31)27(39)11-17(21)6-2/h7-8,10-12,19,26,39H,5-6,9,13-16H2,1-4H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431910 (US10550118, Example 8-17 | US10954237, Example 8-1...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488306 (US10954237, Example 8-9) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C29H32FN7O2/c1-6-16-10-25(38)20(30)11-19(16)17-7-8-18-21(9-17)33-34-26(18)27-31-22-12-24(36(5)13-23(22)32-27)28(39)37-14-29(2,15-37)35(3)4/h7-11,24,38H,6,12-15H2,1-5H3/b27-26-/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488300 (US10954237, Example 8-3) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)NC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-4-8-36-15-24-23(12-25(36)29(39)37-13-18(14-37)31-3)32-28(33-24)27-19-7-6-17(9-22(19)34-35-27)20-11-21(30)26(38)10-16(20)5-2/h6-7,9-11,18,25,31,38H,4-5,8,12-15H2,1-3H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333122 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(2-(6...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488298 (US10954237, Example 8-1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N1CCCCC1 |r| Show InChI InChI=1S/C31H34FN7O2/c1-3-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(37(2)17-26(25)34-30)31(41)39-15-20(16-39)38-9-5-4-6-10-38/h7-8,11-13,20,27,40H,3-6,9-10,14-17H2,1-2H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431913 (US10550118, Example 8-20 | US10954237, Example 8-2...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488302 (US10954237, Example 8-5) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C33H38FN7O2/c1-3-10-40-19-28-27(16-29(40)33(43)41-17-22(18-41)39-11-6-5-7-12-39)35-32(36-28)31-23-9-8-21(13-26(23)37-38-31)24-15-25(34)30(42)14-20(24)4-2/h8-9,13-15,22,29,42H,3-7,10-12,16-19H2,1-2H3/b32-31-/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333145 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(5-et...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431906 (US10550118, Example 8-13 | US10550118, Example 8-1...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333120 ((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431914 (US10550118, Example 8-21 | US10954237, Example 8-2...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431909 (US10550118, Example 8-16 | US10947229, Example C-4...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-7-18-11-27(40)22(32)12-21(18)19-8-9-20-23(10-19)35-36-28(20)29-33-24-13-26(39(17(2)3)14-25(24)34-29)30(41)38-15-31(4,16-38)37(5)6/h8-12,17,26,40H,7,13-16H2,1-6H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488303 (US10954237, Example 8-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N1CCCCC1 |r| Show InChI InChI=1S/C33H38FN7O2/c1-4-20-13-30(42)25(34)14-24(20)21-8-9-23-26(12-21)37-38-31(23)32-35-27-15-29(41(19(2)3)18-28(27)36-32)33(43)40-16-22(17-40)39-10-6-5-7-11-39/h8-9,12-14,19,22,29,42H,4-7,10-11,15-18H2,1-3H3/b32-31-/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM488299 (US10954237, Example 8-2) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CC(C1)N(C)C |r| Show InChI InChI=1S/C28H30FN7O2/c1-5-15-9-25(37)20(29)10-19(15)16-6-7-18-21(8-16)32-33-26(18)27-30-22-11-24(35(4)14-23(22)31-27)28(38)36-12-17(13-36)34(2)3/h6-10,17,24,37H,5,11-14H2,1-4H3/b27-26-/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333144 ((S)-(3-(dimethylamino)azetidin-1-yl)(5-ethyl-2-(6-...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333144 ((S)-(3-(dimethylamino)azetidin-1-yl)(5-ethyl-2-(6-...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-16-10-26(38)21(30)11-20(16)17-7-8-19-22(9-17)33-34-27(19)28-31-23-12-25(36(6-2)15-24(23)32-28)29(39)37-13-18(14-37)35(3)4/h7-11,18,25,38H,5-6,12-15H2,1-4H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM333145 ((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(5-et...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C30H34FN7O2/c1-6-17-11-26(39)21(31)12-20(17)18-8-9-19-22(10-18)34-35-27(19)28-32-23-13-25(37(7-2)14-24(23)33-28)29(40)38-15-30(3,16-38)36(4)5/h8-12,25,39H,6-7,13-16H2,1-5H3/b28-27-/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431909 (US10550118, Example 8-16 | US10947229, Example C-4...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C)(C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-7-18-11-27(40)22(32)12-21(18)19-8-9-20-23(10-19)35-36-28(20)29-33-24-13-26(39(17(2)3)14-25(24)34-29)30(41)38-15-31(4,16-38)37(5)6/h8-12,17,26,40H,7,13-16H2,1-6H3/b29-28-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021) BindingDB Entry DOI: 10.7270/Q2571G33
					More data for this Ligand-Target Pair

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