Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50011083   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544788 (CHEMBL4636795) Show SMILES CN(C)C(=O)c1ccc(Nc2cc(ccn2)N2CC[C@@](C#N)(C3CC3)C2=O)nc1 |r| Show InChI InChI=1S/C21H22N6O2/c1-26(2)19(28)14-3-6-17(24-12-14)25-18-11-16(7-9-23-18)27-10-8-21(13-22,20(27)29)15-4-5-15/h3,6-7,9,11-12,15H,4-5,8,10H2,1-2H3,(H,23,24,25)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544787 (CHEMBL4643392) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r| Show InChI InChI=1S/C24H27N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h3-5,8-9,12,17-18H,1-2,6-7,10-11,13-15H2,(H,26,27,28)/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544782 (CHEMBL4643899) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1-/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544784 (CHEMBL4641006) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544783 (CHEMBL4645110) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544785 (CHEMBL4645258) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544784 (CHEMBL4641006) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544784 (CHEMBL4641006) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544785 (CHEMBL4645258) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544784 (CHEMBL4641006) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544787 (CHEMBL4643392) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r| Show InChI InChI=1S/C24H27N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h3-5,8-9,12,17-18H,1-2,6-7,10-11,13-15H2,(H,26,27,28)/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544782 (CHEMBL4643899) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1-/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544786 (CHEMBL4637587) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544783 (CHEMBL4645110) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544784 (CHEMBL4641006) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544785 (CHEMBL4645258) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544783 (CHEMBL4645110) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544787 (CHEMBL4643392) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r| Show InChI InChI=1S/C24H27N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h3-5,8-9,12,17-18H,1-2,6-7,10-11,13-15H2,(H,26,27,28)/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544785 (CHEMBL4645258) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544782 (CHEMBL4643899) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1-/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544782 (CHEMBL4643899) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1-/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544783 (CHEMBL4645110) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544787 (CHEMBL4643392) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r| Show InChI InChI=1S/C24H27N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h3-5,8-9,12,17-18H,1-2,6-7,10-11,13-15H2,(H,26,27,28)/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544783 (CHEMBL4645110) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C\COC2)n3)c1 |r,t:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544782 (CHEMBL4643899) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COC\C=C/COC2)n3)c1 |r,c:28| Show InChI InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1-/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544787 (CHEMBL4643392) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(COCCCCOC2)n3)c1 |r| Show InChI InChI=1S/C24H27N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h3-5,8-9,12,17-18H,1-2,6-7,10-11,13-15H2,(H,26,27,28)/t18-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544785 (CHEMBL4645258) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544786 (CHEMBL4637587) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50544786 (CHEMBL4637587) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50544786 (CHEMBL4637587) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544786 (CHEMBL4637587) Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126963 BindingDB Entry DOI: 10.7270/Q24X5CCJ
					More data for this Ligand-Target Pair