Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 542   

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 JAK1 (Homo sapiens (Human))	BDBM277322 (US10072025, Example 1-3 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O Show InChI InChI=1S/C25H33N5O5S/c1-6-25(12-15-29(16-13-25)23(32)35-24(2,3)4)30-19-11-14-26-22(31)20(19)21(28-30)27-17-7-9-18(10-8-17)36(5,33)34/h7-11,14H,6,12-13,15-16H2,1-5H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277377 (US10072025, Example 3-11 | tert-butyl 4-ethyl-4-[3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5S/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-42(40)18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277320 (US10072025, Example 1-1 | tert-butyl 4-(3-(4-(N,N-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O Show InChI InChI=1S/C26H36N6O5S/c1-7-26(13-16-31(17-14-26)24(34)37-25(2,3)4)32-20-12-15-27-23(33)21(20)22(29-32)28-18-8-10-19(11-9-18)38(35,36)30(5)6/h8-12,15H,7,13-14,16-17H2,1-6H3,(H,27,33)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277366 (4-((1-(1-(tert- butoxycarbonyl)-4- ethylpiperidin-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(O)=O)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C26H33N5O5/c1-6-26(10-13-30(14-11-26)24(35)36-25(3,4)5)31-19-9-12-27-22(32)20(19)21(29-31)28-17-7-8-18(23(33)34)16(2)15-17/h7-9,12,15H,6,10-11,13-14H2,1-5H3,(H,27,32)(H,28,29)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277377 (US10072025, Example 3-11 | tert-butyl 4-ethyl-4-[3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5S/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-42(40)18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277367 (US10072025, Example 3-1 | tert-butyl-4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(=O)C3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H38N6O6/c1-6-30(10-13-34(14-11-30)28(40)42-29(3,4)5)36-22-9-12-31-26(38)24(22)25(33-36)32-20-7-8-21(19(2)17-20)27(39)35-15-16-41-23(37)18-35/h7-9,12,17H,6,10-11,13-16,18H2,1-5H3,(H,31,38)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277376 (US10072025, Example 3-10 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H42N6O5/c1-6-31(11-15-36(16-12-31)29(40)42-30(3,4)5)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(21(2)20-22)28(39)35-14-7-18-41-19-17-35/h8-10,13,20H,6-7,11-12,14-19H2,1-5H3,(H,32,38)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277352 (US10072025, Example 2-30 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCN(C)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H43N7O5S/c1-6-31(12-17-36(18-13-31)29(40)43-30(2,3)4)38-24-9-14-32-28(39)26(24)27(34-38)33-22-7-8-25-21(19-22)20-37(44(25,41)42)23-10-15-35(5)16-11-23/h7-9,14,19,23H,6,10-13,15-18,20H2,1-5H3,(H,32,39)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277336 (US10072025, Example 2-14 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)28(40)42-29(3,4)5)37-23-9-12-32-26(38)24(23)25(34-37)33-21-7-8-22(20(2)15-21)27(39)36-16-30(17-36)18-41-19-30/h7-9,12,15H,6,10-11,13-14,16-19H2,1-5H3,(H,32,38)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277372 (US10072025, Example 3-6 | tert-butyl 4-ethyl-4-[3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)c(C)c2)c2c1cc[nH]c2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277352 (US10072025, Example 2-30 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCN(C)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H43N7O5S/c1-6-31(12-17-36(18-13-31)29(40)43-30(2,3)4)38-24-9-14-32-28(39)26(24)27(34-38)33-22-7-8-25-21(19-22)20-37(44(25,41)42)23-10-15-35(5)16-11-23/h7-9,14,19,23H,6,10-13,15-18,20H2,1-5H3,(H,32,39)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277344 (US10072025, Example 2-22 | tert-butyl 4-(3-(4-((1S...) Show SMILES [H][C@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@]([H])(CO1)C2 |r| Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)29(40)42-30(3,4)5)37-24-9-12-32-27(38)25(24)26(34-37)33-20-7-8-23(19(2)15-20)28(39)36-17-22-16-21(36)18-41-22/h7-9,12,15,21-22H,6,10-11,13-14,16-18H2,1-5H3,(H,32,38)(H,33,34)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277331 (US10072025, Example 2-11 | US10072025, Example 2-9...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-40-18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277331 (US10072025, Example 2-11 | US10072025, Example 2-9...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-40-18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277326 (US10072025, Example 2-4 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(C)CC2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H42N6O3/c1-6-30(14-19-35(20-15-30)28(38)39-29(2,3)4)36-24-11-16-31-27(37)25(24)26(33-36)32-23-9-7-21(8-10-23)22-12-17-34(5)18-13-22/h7-11,16,22H,6,12-15,17-20H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277362 (US10072025, Example 2-40 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccnc(F)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C23H29FN6O3/c1-5-23(8-12-29(13-9-23)21(32)33-22(2,3)4)30-16-7-11-26-20(31)18(16)19(28-30)27-15-6-10-25-17(24)14-15/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,26,31)(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277337 (US10072025, Example 2-15 | tert-butyl 4-(3-((4- ((...) Show SMILES [H][C@@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@@]([H])(CO1)C2 |r| Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)29(40)42-30(3,4)5)37-24-9-12-32-27(38)25(24)26(34-37)33-20-7-8-23(19(2)15-20)28(39)36-17-22-16-21(36)18-41-22/h7-9,12,15,21-22H,6,10-11,13-14,16-18H2,1-5H3,(H,32,38)(H,33,34)/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277320 (US10072025, Example 1-1 | tert-butyl 4-(3-(4-(N,N-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O Show InChI InChI=1S/C26H36N6O5S/c1-7-26(13-16-31(17-14-26)24(34)37-25(2,3)4)32-20-12-15-27-23(33)21(20)22(29-32)28-18-8-10-19(11-9-18)38(35,36)30(5)6/h8-12,15H,7,13-14,16-17H2,1-6H3,(H,27,33)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277336 (US10072025, Example 2-14 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4(COC4)C3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)28(40)42-29(3,4)5)37-23-9-12-32-26(38)24(23)25(34-37)33-21-7-8-22(20(2)15-21)27(39)36-16-30(17-36)18-41-19-30/h7-9,12,15H,6,10-11,13-14,16-19H2,1-5H3,(H,32,38)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277337 (US10072025, Example 2-15 | tert-butyl 4-(3-((4- ((...) Show SMILES [H][C@@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@@]([H])(CO1)C2 |r| Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)29(40)42-30(3,4)5)37-24-9-12-32-27(38)25(24)26(34-37)33-20-7-8-23(19(2)15-20)28(39)36-17-22-16-21(36)18-41-22/h7-9,12,15,21-22H,6,10-11,13-14,16-18H2,1-5H3,(H,32,38)(H,33,34)/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277372 (US10072025, Example 3-6 | tert-butyl 4-ethyl-4-[3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CC(C3)O4)c(C)c2)c2c1cc[nH]c2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277376 (US10072025, Example 3-10 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C31H42N6O5/c1-6-31(11-15-36(16-12-31)29(40)42-30(3,4)5)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(21(2)20-22)28(39)35-14-7-18-41-19-17-35/h8-10,13,20H,6-7,11-12,14-19H2,1-5H3,(H,32,38)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277344 (US10072025, Example 2-22 | tert-butyl 4-(3-(4-((1S...) Show SMILES [H][C@]12CN(C(=O)c3ccc(Nc4nn(c5cc[nH]c(=O)c45)C4(CC)CCN(CC4)C(=O)OC(C)(C)C)cc3C)[C@]([H])(CO1)C2 |r| Show InChI InChI=1S/C31H40N6O5/c1-6-31(10-13-35(14-11-31)29(40)42-30(3,4)5)37-24-9-12-32-27(38)25(24)26(34-37)33-20-7-8-23(19(2)15-20)28(39)36-17-22-16-21(36)18-41-22/h7-9,12,15,21-22H,6,10-11,13-14,16-18H2,1-5H3,(H,32,38)(H,33,34)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277323 (US10072025, Example 2-1 | tert-butyl 4-(3-((4-(8-o...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H42N6O5/c1-6-32(12-15-36(16-13-32)30(41)43-31(3,4)5)38-25-11-14-33-28(39)26(25)27(35-38)34-21-7-10-24(20(2)17-21)29(40)37-18-22-8-9-23(19-37)42-22/h7,10-11,14,17,22-23H,6,8-9,12-13,15-16,18-19H2,1-5H3,(H,33,39)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277331 (US10072025, Example 2-11 | US10072025, Example 2-9...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-40-18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277331 (US10072025, Example 2-11 | US10072025, Example 2-9...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O5/c1-6-30(10-13-35(14-11-30)28(39)41-29(3,4)5)36-23-9-12-31-26(37)24(23)25(33-36)32-21-7-8-22(20(2)19-21)27(38)34-15-17-40-18-16-34/h7-9,12,19H,6,10-11,13-18H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277346 (US10072025, Example 2-24 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCc1cc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC)CCN(CC2)C(=O)OC(C)(C)C)ccc1C(=O)N1CCOCC1 Show InChI InChI=1S/C31H42N6O5/c1-6-21-20-22(8-9-23(21)28(39)35-16-18-41-19-17-35)33-26-25-24(10-13-32-27(25)38)37(34-26)31(7-2)11-14-36(15-12-31)29(40)42-30(3,4)5/h8-10,13,20H,6-7,11-12,14-19H2,1-5H3,(H,32,38)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277323 (US10072025, Example 2-1 | tert-butyl 4-(3-((4-(8-o...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CC4CCC(C3)O4)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H42N6O5/c1-6-32(12-15-36(16-13-32)30(41)43-31(3,4)5)38-25-11-14-33-28(39)26(25)27(35-38)34-21-7-10-24(20(2)17-21)29(40)37-18-22-8-9-23(19-37)42-22/h7,10-11,14,17,22-23H,6,8-9,12-13,15-16,18-19H2,1-5H3,(H,33,39)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277328 ((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277328 ((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277350 ((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(3- methy...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277335 (US10072025, Example 2-13 | tert-butyl 4-(3-((4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C4CCC3COC4)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H42N6O5/c1-6-32(12-15-36(16-13-32)30(41)43-31(3,4)5)38-25-11-14-33-28(39)26(25)27(35-38)34-21-7-10-24(20(2)17-21)29(40)37-22-8-9-23(37)19-42-18-22/h7,10-11,14,17,22-23H,6,8-9,12-13,15-16,18-19H2,1-5H3,(H,33,39)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277373 (US10072025, Example 3-7 | tert-butyl 4-{3-[(4- {[(...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277385 (US10072025, Example 3-19 | US10072025, Example 3-2...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC(C)C3)c(C)c2)c2c1cc[nH]c2=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277339 (US10072025, Example 2-17 | tert-butyl 4-(3-((3- (c...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2cccc(CC#N)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C26H32N6O3/c1-5-26(11-15-31(16-12-26)24(34)35-25(2,3)4)32-20-10-14-28-23(33)21(20)22(30-32)29-19-8-6-7-18(17-19)9-13-27/h6-8,10,14,17H,5,9,11-12,15-16H2,1-4H3,(H,28,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277335 (US10072025, Example 2-13 | tert-butyl 4-(3-((4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C4CCC3COC4)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H42N6O5/c1-6-32(12-15-36(16-13-32)30(41)43-31(3,4)5)38-25-11-14-33-28(39)26(25)27(35-38)34-21-7-10-24(20(2)17-21)29(40)37-22-8-9-23(37)19-42-18-22/h7,10-11,14,17,22-23H,6,8-9,12-13,15-16,18-19H2,1-5H3,(H,33,39)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277350 ((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(3- methy...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277327 (US10072025, Example 2-5 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCOCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O6S/c1-5-30(11-14-34(15-12-30)28(38)42-29(2,3)4)36-23-8-13-31-27(37)25(23)26(33-36)32-21-6-7-24-20(18-21)19-35(43(24,39)40)22-9-16-41-17-10-22/h6-8,13,18,22H,5,9-12,14-17,19H2,1-4H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277326 (US10072025, Example 2-4 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)C2CCN(C)CC2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H42N6O3/c1-6-30(14-19-35(20-15-30)28(38)39-29(2,3)4)36-24-11-16-31-27(37)25(24)26(33-36)32-23-9-7-21(8-10-23)22-12-17-34(5)18-13-22/h7-11,16,22H,6,12-15,17-20H2,1-5H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277334 (US10072025, Example 2-12 | tert-butyl 4-ethyl-4-(3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C29H37FN6O5/c1-5-29(9-12-35(13-10-29)27(39)41-28(2,3)4)36-22-8-11-31-25(37)23(22)24(33-36)32-19-6-7-20(21(30)18-19)26(38)34-14-16-40-17-15-34/h6-8,11,18H,5,9-10,12-17H2,1-4H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277378 (US10072025, Example 3-12 | tert-butyl 4-ethyl-4-[3...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCC(CC3)N3CCSCC3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C35H49N7O4S/c1-6-35(12-17-41(18-13-35)33(45)46-34(3,4)5)42-28-9-14-36-31(43)29(28)30(38-42)37-25-7-8-27(24(2)23-25)32(44)40-15-10-26(11-16-40)39-19-21-47-22-20-39/h7-9,14,23,26H,6,10-13,15-22H2,1-5H3,(H,36,43)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277340 (US10072025, Example 2-18 | tert-butyl 4-(3-(4-((3S...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C32H44N6O5/c1-8-32(12-15-36(16-13-32)30(41)43-31(5,6)7)38-25-11-14-33-28(39)26(25)27(35-38)34-23-9-10-24(20(2)17-23)29(40)37-21(3)18-42-19-22(37)4/h9-11,14,17,21-22H,8,12-13,15-16,18-19H2,1-7H3,(H,33,39)(H,34,35)/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277330 ((5)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-21(3)19-36/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277329 ((R)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-21(3)19-36/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277327 (US10072025, Example 2-5 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc3c(CN(C4CCOCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H40N6O6S/c1-5-30(11-14-34(15-12-30)28(38)42-29(2,3)4)36-23-8-13-31-27(37)25(23)26(33-36)32-21-6-7-24-20(18-21)19-35(43(24,39)40)22-9-16-41-17-10-22/h6-8,13,18,22H,5,9-12,14-17,19H2,1-4H3,(H,31,37)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277340 (US10072025, Example 2-18 | tert-butyl 4-(3-(4-((3S...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3[C@@H](C)COC[C@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C32H44N6O5/c1-8-32(12-15-36(16-13-32)30(41)43-31(5,6)7)38-25-11-14-33-28(39)26(25)27(35-38)34-23-9-10-24(20(2)17-23)29(40)37-21(3)18-42-19-22(37)4/h9-11,14,17,21-22H,8,12-13,15-16,18-19H2,1-7H3,(H,33,39)(H,34,35)/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277368 (US10072025, Example 3-2 | tert-butyl 4-[3-({4-[(2,...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC(C)(C)C3)c(C)c2)c2c1cc[nH]c2=O Show InChI InChI=1S/C32H44N6O5/c1-8-32(12-15-36(16-13-32)29(41)43-30(3,4)5)38-24-11-14-33-27(39)25(24)26(35-38)34-22-9-10-23(21(2)19-22)28(40)37-17-18-42-31(6,7)20-37/h9-11,14,19H,8,12-13,15-18,20H2,1-7H3,(H,33,39)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277330 ((5)-tert-butyl-4-ethyl-4-(3- (3-methyl-4-(2- methy...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCO[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-21(3)19-36/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277373 (US10072025, Example 3-7 | tert-butyl 4-{3-[(4- {[(...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277322 (US10072025, Example 1-3 | tert-butyl 4-ethyl-4-(3-...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O Show InChI InChI=1S/C25H33N5O5S/c1-6-25(12-15-29(16-13-25)23(32)35-24(2,3)4)30-19-11-14-26-22(31)20(19)21(28-30)27-17-7-9-18(10-8-17)36(5,33)34/h7-11,14H,6,12-13,15-16H2,1-5H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair

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