Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'olson' and Initial = 'p'   

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))	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM473560 (US10844057, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C[C@@H]1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C33H39N7O4/c1-7-20-14-22(41)9-11-23(20)21-8-10-24-25(15-21)36-37-29(24)30-34-26-16-28(38(6)18-27(26)35-30)31(42)40-13-12-39(17-19(40)2)32(43)44-33(3,4)5/h8-11,14-15,19,28,41H,7,12-13,16-18H2,1-6H3/b30-29-/t19-,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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0400	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472914 (US10836763, Example 2 | US10844057, Example 2 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H35N7O2/c1-4-10-37-17-27-26(14-28(37)31(40)38-16-20-13-21(38)15-36(20)3)32-30(33-27)29-24-8-6-19(12-25(24)34-35-29)23-9-7-22(39)11-18(23)5-2/h6-9,11-12,20-21,28,39H,4-5,10,13-17H2,1-3H3/b30-29-/t20-,21-,28-/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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472910 (US10836763, Example 1 | US10844057, Example 1 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H37N7O3/c1-3-9-38-19-27-26(18-28(38)31(41)37-12-10-36(11-13-37)14-15-39)32-30(33-27)29-24-7-5-21(17-25(24)34-35-29)23-8-6-22(40)16-20(23)4-2/h5-8,16-17,28,39-40H,3-4,9-15,18-19H2,1-2H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0500	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472914 (US10836763, Example 2 | US10844057, Example 2 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H35N7O2/c1-4-10-37-17-27-26(14-28(37)31(40)38-16-20-13-21(38)15-36(20)3)32-30(33-27)29-24-8-6-19(12-25(24)34-35-29)23-9-7-22(39)11-18(23)5-2/h6-9,11-12,20-21,28,39H,4-5,10,13-17H2,1-3H3/b30-29-/t20-,21-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM473560 (US10844057, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C[C@@H]1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C33H39N7O4/c1-7-20-14-22(41)9-11-23(20)21-8-10-24-25(15-21)36-37-29(24)30-34-26-16-28(38(6)18-27(26)35-30)31(42)40-13-12-39(17-19(40)2)32(43)44-33(3,4)5/h8-11,14-15,19,28,41H,7,12-13,16-18H2,1-6H3/b30-29-/t19-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM473560 (US10844057, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C[C@@H]1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C33H39N7O4/c1-7-20-14-22(41)9-11-23(20)21-8-10-24-25(15-21)36-37-29(24)30-34-26-16-28(38(6)18-27(26)35-30)31(42)40-13-12-39(17-19(40)2)32(43)44-33(3,4)5/h8-11,14-15,19,28,41H,7,12-13,16-18H2,1-6H3/b30-29-/t19-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472910 (US10836763, Example 1 | US10844057, Example 1 | US...) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1CC |r| Show InChI InChI=1S/C31H37N7O3/c1-3-9-38-19-27-26(18-28(38)31(41)37-12-10-36(11-13-37)14-15-39)32-30(33-27)29-24-7-5-21(17-25(24)34-35-29)23-8-6-22(40)16-20(23)4-2/h5-8,16-17,28,39-40H,3-4,9-15,18-19H2,1-2H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0630	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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	0.0790	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					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	0.0790	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0790	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (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	0.0790	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 US10844057 (2020) BindingDB Entry DOI: 10.7270/Q2S75KFX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292105 (US10100049, Example 2 | US10183942, Example 2-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1 Show InChI InChI=1S/C24H25FN6O/c1-2-13-8-22(32)18(25)9-17(13)14-3-4-16-20(7-14)29-30-23(16)24-27-19-5-6-31(12-21(19)28-24)15-10-26-11-15/h3-4,7-9,15,26,32H,2,5-6,10-12H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292104 (US10100049, Example 1 | US10183942, Example 1-8 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292104 (US10100049, Example 1 | US10183942, Example 1-8 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529518 (CHEMBL4463675) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCCN(CC(CC)CC)C(=O)CO |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529509 (CHEMBL4467513) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(C)=O |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045758 (3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...) Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50529515 (CHEMBL3919761) Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1 |r| Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529522 (CHEMBL4471516) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(c1)C(N)=O)N2CCN(CC1CCCCC1)C(=O)c1ccco1 |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50529505 (CHEMBL3954068) Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO |r| Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay				ACS Med Chem Lett 10: 1641-1647 (2019) Article DOI: 10.1021/acsmedchemlett.9b00406 BindingDB Entry DOI: 10.7270/Q21C219X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292110 (US10100049, Example 7 | US10183942, Example 7-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292110 (US10100049, Example 7 | US10183942, Example 7-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292111 (US10100049, Example 8 | US10183942, Example 8 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292111 (US10100049, Example 8 | US10183942, Example 8 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292112 (US10100049, Example 9 | US10183942, Example 9-2 | ...) Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292112 (US10100049, Example 9 | US10183942, Example 9-2 | ...) Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292113 (US10100049, Example 10 | US10183942, Example 10 | ...) Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	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/Q29027WQ
					More data for this Ligand-Target Pair

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