Compile Data Set for Download or QSAR

Found 834 hits with Last Name = 'long' and Initial = 'dd'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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		0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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		0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	0.0130	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	0.0130	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	0.0130	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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		0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	0.0160	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350089 (((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473568 (US10844057, Example 11 | US10947229, Example 4 | U...) Show SMILES CCc1cc(O)ccc1-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/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
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	0.0160	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350089 (((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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		0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
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		0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473568 (US10844057, Example 11 | US10947229, Example 4 | U...) Show SMILES CCc1cc(O)ccc1-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/C31H37N7O2/c1-7-19-12-21(39)9-11-22(19)20-8-10-23-24(13-20)34-35-28(23)29-32-25-14-27(38(18(2)3)15-26(25)33-29)30(40)37-16-31(4,17-37)36(5)6/h8-13,18,27,39H,7,14-17H2,1-6H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473566 (US10844057, Example 9 | US10947229, Example 2 | US...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473566 (US10844057, Example 9 | US10947229, Example 2 | US...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C29H33N7O2/c1-5-17-11-20(37)8-10-21(17)18-7-9-22-23(12-18)32-33-27(22)28-30-24-13-26(35(6-2)16-25(24)31-28)29(38)36-14-19(15-36)34(3)4/h7-12,19,26,37H,5-6,13-16H2,1-4H3/b28-27-/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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350090 (((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-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[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350092 (((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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	0.0200	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350092 (((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350090 (((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-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[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (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		0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473567 (US10844057, Example 10 | US10947229, Example 3 | U...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-6-18-12-20(38)9-11-21(18)19-8-10-22-23(13-19)33-34-27(22)28-31-24-14-26(36(7-2)15-25(24)32-28)29(39)37-16-30(3,17-37)35(4)5/h8-13,26,38H,6-7,14-17H2,1-5H3/b28-27-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350091 ((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473569 (US10844057, Example 12 | US10947229, Example 5 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0250	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473567 (US10844057, Example 10 | US10947229, Example 3 | U...) Show SMILES CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-6-18-12-20(38)9-11-21(18)19-8-10-22-23(13-19)33-34-27(22)28-31-24-14-26(36(7-2)15-25(24)32-28)29(39)37-16-30(3,17-37)35(4)5/h8-13,26,38H,6-7,14-17H2,1-5H3/b28-27-/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350091 ((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473569 (US10844057, Example 12 | US10947229, Example 5 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472917 (US10836763, Example C-3 | US11254669, Example 2-15...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472922 (US10836763, Example 5 | US10844057, Example 5 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H35N7O3/c1-4-19-13-21(39)6-8-22(19)20-5-7-23-24(14-20)33-34-28(23)29-31-25-15-27(35(3)17-26(25)32-29)30(40)37-10-9-36(11-12-38)16-18(37)2/h5-8,13-14,18,27,38-39H,4,9-12,15-17H2,1-3H3/b29-28-/t18-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473570 (US10844057, Example 13 | US10947229, Example 6 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H37N7O2/c1-6-12-37-16-26-25(15-27(37)30(40)38-17-31(3,18-38)36(4)5)32-29(33-26)28-23-10-8-20(14-24(23)34-35-28)22-11-9-21(39)13-19(22)7-2/h8-11,13-14,27,39H,6-7,12,15-18H2,1-5H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473564 (US10844057, Example 7 | US10947229, Example 1 | US...) Show SMILES CCc1cc(O)ccc1-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/C30H35N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM473569 (US10844057, Example 12 | US10947229, Example 5 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472917 (US10836763, Example C-3 | US11254669, Example 2-15...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350093 ((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472922 (US10836763, Example 5 | US10844057, Example 5 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C |r| Show InChI InChI=1S/C30H35N7O3/c1-4-19-13-21(39)6-8-22(19)20-5-7-23-24(14-20)33-34-28(23)29-31-25-15-27(35(3)17-26(25)32-29)30(40)37-10-9-36(11-12-38)16-18(37)2/h5-8,13-14,18,27,38-39H,4,9-12,15-17H2,1-3H3/b29-28-/t18-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473564 (US10844057, Example 7 | US10947229, Example 1 | US...) Show SMILES CCc1cc(O)ccc1-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/C30H35N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM473569 (US10844057, Example 12 | US10947229, Example 5 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C30H35N7O2/c1-5-11-36-17-26-25(14-27(36)30(39)37-15-20(16-37)35(3)4)31-29(32-26)28-23-9-7-19(13-24(23)33-34-28)22-10-8-21(38)12-18(22)6-2/h7-10,12-13,20,27,38H,5-6,11,14-17H2,1-4H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM350093 ((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473570 (US10844057, Example 13 | US10947229, Example 6 | U...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H37N7O2/c1-6-12-37-16-26-25(15-27(37)30(40)38-17-31(3,18-38)36(4)5)32-29(33-26)28-23-10-8-20(14-24(23)34-35-28)22-11-9-21(39)13-19(22)7-2/h8-11,13-14,27,39H,6-7,12,15-18H2,1-5H3/b29-28-/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472916 (US10836763, Example 3 | US11713315, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472924 (US10836763, Example 6 | US10844057, Example 6 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H37N7O2/c1-6-19-13-22(39)8-10-23(19)20-7-9-24-25(14-20)34-35-29(24)30-32-26-15-28(38(18(2)3)17-27(26)33-30)31(40)37-12-11-21(16-37)36(4)5/h7-10,13-14,18,21,28,39H,6,11-12,15-17H2,1-5H3/b30-29-/t21-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24F1VV8
					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		0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2XS60BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472916 (US10836763, Example 3 | US11713315, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472924 (US10836763, Example 6 | US10844057, Example 6 | US...) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C |r| Show InChI InChI=1S/C31H37N7O2/c1-6-19-13-22(39)8-10-23(19)20-7-9-24-25(14-20)34-35-29(24)30-32-26-15-28(38(18(2)3)17-27(26)33-30)31(40)37-12-11-21(16-37)36(4)5/h7-10,13-14,18,21,28,39H,6,11-12,15-17H2,1-5H3/b30-29-/t21-,28-/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 US10836763 (2020) BindingDB Entry DOI: 10.7270/Q26D5X2K
					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 US10947229 (2021) BindingDB Entry DOI: 10.7270/Q2MC934F
					More data for this Ligand-Target Pair

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