Compile Data Set for Download or QSAR

Found 687 hits Enz. Inhib. hit(s) with all data for entry = 4897   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514921 (CHEMBL4576141 | US10988478, Example 158) Show SMILES CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r| Show InChI InChI=1S/C23H27N5O4/c1-22(2,30)23(3)13-15-11-17(18(12-19(15)32-23)27-7-9-31-10-8-27)26-21(29)16-14-25-28-6-4-5-24-20(16)28/h4-6,11-12,14,30H,7-10,13H2,1-3H3,(H,26,29)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514950 (CHEMBL4524886 | US10988478, Example 152) Show SMILES CN1CCC2(Cc3cc(NC(=O)c4cnn5cccnc45)c(cc3O2)N2CCOCC2)CC1 Show InChI InChI=1S/C24H28N6O3/c1-28-7-3-24(4-8-28)15-17-13-19(20(14-21(17)33-24)29-9-11-32-12-10-29)27-23(31)18-16-26-30-6-2-5-25-22(18)30/h2,5-6,13-14,16H,3-4,7-12,15H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50511363 (CHEMBL4536154 | US10988478, Example 289) Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H27FN6O5S/c1-23(2,32)20(24)14-29-13-15-10-17(27-22(31)16-12-26-30-5-3-4-25-21(16)30)18(11-19(15)36(29,33)34)28-6-8-35-9-7-28/h3-5,10-12,20,32H,6-9,13-14H2,1-2H3,(H,27,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...				ACS Med Chem Lett 11: 327-333 (2020) Article DOI: 10.1021/acsmedchemlett.9b00380 BindingDB Entry DOI: 10.7270/Q26W9FDM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435519 (CHEMBL2392493) Show SMILES CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514952 (CHEMBL4569648) Show SMILES O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2cccnc12 Show InChI InChI=1S/C21H20N6O/c28-21(16-14-24-27-11-5-8-23-20(16)27)25-18-12-15-6-4-7-22-17(15)13-19(18)26-9-2-1-3-10-26/h4-8,11-14H,1-3,9-10H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant IRAK4 (unknown origin) using KKARFSRFAGSSPSQSSMVAR as substrate in presence of [gamma33P]-ATP by liquid scintillation count...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402080 (CHEMBL2206620) Show SMILES CCOC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C20H25N7O2/c1-2-29-20(28)24-13-17-25-16-12-23-19-15(4-8-22-19)18(16)27(17)14-5-10-26(11-6-14)9-3-7-21/h4,8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,22,23)(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435525 (CHEMBL2392487) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 Show InChI InChI=1S/C19H20N6/c1-2-4-14(5-3-1)13-24-10-7-15(8-11-24)25-18-16-6-9-20-19(16)21-12-17(18)22-23-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402086 (CHEMBL2206614) Show SMILES N#CCCN1CCC(CC1)n1c(CCC2CCCO2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C22H28N6O/c23-9-2-11-27-12-7-16(8-13-27)28-20(5-4-17-3-1-14-29-17)26-19-15-25-22-18(21(19)28)6-10-24-22/h6,10,15-17H,1-5,7-8,11-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402090 (CHEMBL2206062) Show SMILES CC(C)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C19H24N6/c1-13(2)19-23-16-12-22-18-15(4-8-21-18)17(16)25(19)14-5-10-24(11-6-14)9-3-7-20/h4,8,12-14H,3,5-6,9-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393752 (CHEMBL2159203) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCNC[C@@H]1F |r| Show InChI InChI=1S/C14H16FN5/c1-8-19-11-7-18-14-9(2-5-17-14)13(11)20(8)12-3-4-16-6-10(12)15/h2,5,7,10,12,16H,3-4,6H2,1H3,(H,17,18)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402084 (CHEMBL2206616) Show SMILES Cn1ccnc1CCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C22H26N8/c1-28-14-10-24-19(28)3-4-20-27-18-15-26-22-17(5-9-25-22)21(18)30(20)16-6-12-29(13-7-16)11-2-8-23/h5,9-10,14-16H,2-4,6-7,11-13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393750 (CHEMBL2159205) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCCC#N |r,wU:16.22,wD:13.15,(11.06,-.77,;11.78,-2.13,;11.1,-3.52,;12.21,-4.59,;12.16,-6.13,;13.46,-6.94,;14.82,-6.22,;16.27,-6.76,;17.22,-5.54,;16.36,-4.26,;14.88,-4.68,;13.57,-3.87,;13.31,-2.35,;14.65,-1.58,;15.98,-2.35,;17.31,-1.58,;17.31,-.04,;15.98,.73,;14.64,-.04,;18.65,.73,;18.64,2.27,;17.31,3.04,;17.31,4.58,;17.31,6.12,)| Show InChI InChI=1S/C18H22N6/c1-12-23-16-11-22-18-15(7-10-21-18)17(16)24(12)14-5-3-13(4-6-14)20-9-2-8-19/h7,10-11,13-14,20H,2-6,9H2,1H3,(H,21,22)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393740 (CHEMBL2159141) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1 Show InChI InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514936 (CHEMBL4452936 | US10988478, Example 245) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCC(CC1)C(O)C(F)(F)F Show InChI InChI=1S/C24H26F3N5O3/c1-23(2)12-15-10-17(30-22(34)16-13-29-32-7-3-6-28-21(16)32)18(11-19(15)35-23)31-8-4-14(5-9-31)20(33)24(25,26)27/h3,6-7,10-11,13-14,20,33H,4-5,8-9,12H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435524 (CHEMBL2392485) Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n1nnc2cnc3[nH]ccc3c12 |r| Show InChI InChI=1S/C17H22N6O2/c1-17(2,3)25-16(24)20-10-4-5-11(8-10)23-14-12-6-7-18-15(12)19-9-13(14)21-22-23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)(H,20,24)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402101 (CHEMBL2206631) Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C17H21N5O/c1-11(23)19-10-15-21-14-9-20-17-13(7-8-18-17)16(14)22(15)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20)(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393751 (CHEMBL2159204) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F Show InChI InChI=1S/C14H15F2N5/c1-8-20-10-6-19-13-9(2-5-18-13)12(10)21(8)11-3-4-17-7-14(11,15)16/h2,5-6,11,17H,3-4,7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393749 (CHEMBL2159206) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:16.22,wD:13.15,(26.65,-1.88,;27.4,-3.22,;26.74,-4.62,;27.86,-5.67,;27.83,-7.21,;29.15,-8.01,;30.5,-7.27,;31.96,-7.77,;32.88,-6.55,;32.01,-5.28,;30.53,-5.73,;29.21,-4.93,;28.93,-3.42,;29.74,-2.11,;31.28,-2.16,;32.09,-.84,;31.36,.51,;29.82,.56,;29.01,-.75,;32.17,1.82,;31.44,3.18,;32.26,4.49,;29.95,2.78,;30.35,4.28,)| Show InChI InChI=1S/C16H21N5O2S/c1-10-19-14-9-18-16-13(7-8-17-16)15(14)21(10)12-5-3-11(4-6-12)20-24(2,22)23/h7-9,11-12,20H,3-6H2,1-2H3,(H,17,18)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402075 (CHEMBL2206625) Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C18H21F3N6O/c1-11(28)23-9-15-25-14-8-24-17-13(2-5-22-17)16(14)27(15)12-3-6-26(7-4-12)10-18(19,20)21/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,22,24)(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393744 (CHEMBL2159210) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393747 (CHEMBL2159208) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(17.33,-10.61,;15.8,-10.54,;14.97,-11.83,;13.43,-11.76,;15.74,-13.16,;14.98,-14.5,;15.73,-15.84,;14.96,-17.17,;13.42,-17.16,;12.65,-15.81,;13.44,-14.49,;12.63,-18.48,;11.09,-18.35,;10.3,-17.03,;10.49,-19.77,;11.66,-20.78,;11.69,-22.31,;13.03,-23.07,;14.35,-22.27,;15.82,-22.72,;16.71,-21.46,;15.78,-20.23,;14.32,-20.73,;12.97,-19.98,)| Show InChI InChI=1S/C17H21N5O2/c1-10-20-14-9-19-16-13(7-8-18-16)15(14)22(10)12-5-3-11(4-6-12)21-17(23)24-2/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393754 (CHEMBL2159200) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 |r| Show InChI InChI=1S/C14H16N4O/c1-9-17-12-7-16-14-11(4-5-15-14)13(12)18(9)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514920 (CHEMBL4459509 | US10988478, Example 214) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-21(2)12-14-10-16(17(11-18(14)28-21)25-7-3-4-8-25)24-20(27)15-13-23-26-9-5-6-22-19(15)26/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435518 (CHEMBL2392486) Show SMILES COC(=O)N[C@@H]1CC[C@H](C1)n1nnc2cnc3[nH]ccc3c12 |r| Show InChI InChI=1S/C14H16N6O2/c1-22-14(21)17-8-2-3-9(6-8)20-12-10-4-5-15-13(10)16-7-11(12)18-19-20/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)(H,17,21)/t8-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435515 (CHEMBL2392483) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(54.14,-36.54,;52.78,-35.81,;51.47,-36.61,;51.51,-38.15,;50.12,-35.88,;48.81,-36.69,;48.85,-38.22,;47.55,-39.03,;46.19,-38.29,;46.14,-36.76,;47.46,-35.95,;44.88,-39.1,;43.36,-38.95,;42.75,-40.35,;43.9,-41.37,;43.89,-42.91,;45.23,-43.68,;46.57,-42.9,;48.03,-43.37,;48.93,-42.12,;48.02,-40.87,;46.56,-41.36,;45.22,-40.59,)| Show InChI InChI=1S/C15H18N6O2/c1-23-15(22)18-9-2-4-10(5-3-9)21-13-11-6-7-16-14(11)17-8-12(13)19-20-21/h6-10H,2-5H2,1H3,(H,16,17)(H,18,22)/t9-,10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435512 (CHEMBL2392499) Show SMILES O[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(64.38,-23.09,;63.07,-23.89,;63.11,-25.43,;61.81,-26.23,;60.45,-25.5,;60.4,-23.97,;61.72,-23.16,;59.15,-26.3,;57.63,-26.15,;57.01,-27.56,;58.16,-28.57,;58.16,-30.11,;59.49,-30.88,;60.83,-30.11,;62.3,-30.57,;63.2,-29.32,;62.28,-28.08,;60.82,-28.56,;59.48,-27.8,)| Show InChI InChI=1S/C13H15N5O/c19-9-3-1-8(2-4-9)18-12-10-5-6-14-13(10)15-7-11(12)16-17-18/h5-9,19H,1-4H2,(H,14,15)/t8-,9-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435521 (CHEMBL2392489) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C13H16N6O2S/c1-22(20,21)18-6-3-9(4-7-18)19-12-10-2-5-14-13(10)15-8-11(12)16-17-19/h2,5,8-9H,3-4,6-7H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402082 (CHEMBL2206618) Show SMILES Cn1ccc(CCc2nc3cnc4[nH]ccc4c3n2C2CCN(CCC#N)CC2)n1 Show InChI InChI=1S/C22H26N8/c1-28-12-6-16(27-28)3-4-20-26-19-15-25-22-18(5-10-24-22)21(19)30(20)17-7-13-29(14-8-17)11-2-9-23/h5-6,10,12,15,17H,2-4,7-8,11,13-14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50441538 (CHEMBL2436941) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)N1CCOCC1 |r| Show InChI InChI=1S/C17H20N6O2/c18-10-11-2-1-3-13(11)20-15-12-4-5-19-16(24)14(12)21-17(22-15)23-6-8-25-9-7-23/h4-5,11,13H,1-3,6-9H2,(H,19,24)(H,20,21,22)/t11-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514951 (CHEMBL4569547 | US10988478, Example 533) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCNCC1 Show InChI InChI=1S/C21H24N6O2/c1-21(2)12-14-10-16(17(11-18(14)29-21)26-8-5-22-6-9-26)25-20(28)15-13-24-27-7-3-4-23-19(15)27/h3-4,7,10-11,13,22H,5-6,8-9,12H2,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50511354 (CHEMBL4444608 | US10988478, Example 118) Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H23N5O4S/c1-21(2)12-14-10-16(24-20(27)15-13-23-26-5-3-4-22-19(15)26)17(11-18(14)31(21,28)29)25-6-8-30-9-7-25/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...				ACS Med Chem Lett 11: 327-333 (2020) Article DOI: 10.1021/acsmedchemlett.9b00380 BindingDB Entry DOI: 10.7270/Q26W9FDM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402083 (CHEMBL2206617) Show SMILES N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C21H24N8/c22-7-1-10-27-12-4-16(5-13-27)29-19(6-14-28-11-2-8-25-28)26-18-15-24-21-17(20(18)29)3-9-23-21/h2-3,8-9,11,15-16H,1,4-6,10,12-14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50514946 (CHEMBL4439253 | US10988478, Example 32) Show SMILES C[C@@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCOCC1 |r| Show InChI InChI=1S/C21H23N5O4/c1-21(13-27)11-14-9-16(17(10-18(14)30-21)25-5-7-29-8-6-25)24-20(28)15-12-23-26-4-2-3-22-19(15)26/h2-4,9-10,12,27H,5-8,11,13H2,1H3,(H,24,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate i...				J Med Chem 62: 6223-6240 (2019) Article DOI: 10.1021/acs.jmedchem.9b00439 BindingDB Entry DOI: 10.7270/Q2CC1419
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435525 (CHEMBL2392487) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 Show InChI InChI=1S/C19H20N6/c1-2-4-14(5-3-1)13-24-10-7-15(8-11-24)25-18-16-6-9-20-19(16)21-12-17(18)22-23-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402081 (CHEMBL2206619) Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C19H23N7O/c1-13(27)22-12-17-24-16-11-23-19-15(3-7-21-19)18(16)26(17)14-4-9-25(10-5-14)8-2-6-20/h3,7,11,14H,2,4-5,8-10,12H2,1H3,(H,21,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM493853 (US10988459, Example 60) Show SMILES C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3COc4ccccc4N(C)C3=O)c2C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His/GST-tagged RIPK1 (2 to 257 residues) expressed in insect expression system incubated for 2 hrs by fluorescence po...				Citation and Details Article DOI: 10.1016/j.bmcl.2019.04.014 BindingDB Entry DOI: 10.7270/Q22J6GG3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435516 (CHEMBL2392490) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1cccnc1 Show InChI InChI=1S/C18H19N7/c1-2-13(10-19-6-1)12-24-8-4-14(5-9-24)25-17-15-3-7-20-18(15)21-11-16(17)22-23-25/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402088 (CHEMBL2206612) Show SMILES N#CCCN1CCC(CC1)n1c(CC2CCCC2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C22H28N6/c23-9-3-11-27-12-7-17(8-13-27)28-20(14-16-4-1-2-5-16)26-19-15-25-22-18(21(19)28)6-10-24-22/h6,10,15-17H,1-5,7-8,11-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435520 (CHEMBL2392484) Show SMILES CC(C)CC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:7.6,wD:10.13,(69.03,-37.07,;68.99,-35.53,;70.3,-34.73,;67.64,-34.8,;66.32,-35.6,;66.37,-37.14,;64.97,-34.87,;63.66,-35.67,;63.7,-37.21,;62.39,-38.02,;61.04,-37.28,;60.99,-35.75,;62.3,-34.94,;59.73,-38.09,;58.21,-37.94,;57.6,-39.34,;58.74,-40.36,;58.74,-41.9,;60.07,-42.67,;61.41,-41.89,;62.88,-42.36,;63.78,-41.11,;62.87,-39.87,;61.4,-40.35,;60.06,-39.58,)| Show InChI InChI=1S/C18H24N6O/c1-11(2)9-16(25)21-12-3-5-13(6-4-12)24-17-14-7-8-19-18(14)20-10-15(17)22-23-24/h7-8,10-13H,3-6,9H2,1-2H3,(H,19,20)(H,21,25)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393748 (CHEMBL2159207) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12 |r,wU:4.3,wD:7.10,(.89,-9.34,;.16,-10.7,;-1.39,-10.74,;1.04,-11.96,;.38,-13.35,;1.11,-14.7,;.3,-16.02,;-1.24,-15.97,;-1.97,-14.62,;-1.16,-13.31,;-2.04,-17.29,;-3.58,-17.11,;-4.34,-15.77,;-4.22,-18.52,;-3.08,-19.56,;-3.09,-21.1,;-1.76,-21.88,;-.42,-21.11,;1.04,-21.61,;1.95,-20.37,;1.06,-19.11,;-.41,-19.58,;-1.74,-18.8,)| Show InChI InChI=1S/C17H21N5O/c1-10-20-15-9-19-17-14(7-8-18-17)16(15)22(10)13-5-3-12(4-6-13)21-11(2)23/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50441546 (CHEMBL2436943) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H17N5O/c20-11-13-7-4-8-15(13)22-18-14-9-10-21-19(25)16(14)23-17(24-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15H,4,7-8H2,(H,21,25)(H,22,23,24)/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393745 (CHEMBL2159212) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@H](O)CC1 |r,wD:16.19,13.15,(-3.95,-29.28,;-3.18,-30.61,;-3.8,-32.02,;-2.66,-33.05,;-2.66,-34.59,;-1.32,-35.35,;.01,-34.58,;1.48,-35.05,;2.38,-33.81,;1.47,-32.56,;.01,-33.04,;-1.33,-32.27,;-1.64,-30.77,;-.81,-29.48,;-1.51,-28.11,;-.66,-26.82,;.88,-26.9,;1.71,-25.61,;1.57,-28.27,;.73,-29.56,)| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(6-7-16-15)14(13)19(9)10-2-4-11(20)5-3-10/h6-8,10-11,20H,2-5H2,1H3,(H,16,17)/t10-,11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393755 (CHEMBL2159199) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1 Show InChI InChI=1S/C14H16N4O/c1-9-17-12-8-16-14-11(2-5-15-14)13(12)18(9)10-3-6-19-7-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50511356 (CHEMBL4537890 | US10988478, Example 385) Show SMILES CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2S1(=O)=O)N1CCOCC1 Show InChI InChI=1S/C19H20N6O4S/c1-23-12-13-9-15(22-19(26)14-11-21-25-4-2-3-20-18(14)25)16(10-17(13)30(23,27)28)24-5-7-29-8-6-24/h2-4,9-11H,5-8,12H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR pep...				ACS Med Chem Lett 11: 327-333 (2020) Article DOI: 10.1021/acsmedchemlett.9b00380 BindingDB Entry DOI: 10.7270/Q26W9FDM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50393743 (CHEMBL2159211) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...				J Med Chem 55: 6176-93 (2012) Article DOI: 10.1021/jm300628c BindingDB Entry DOI: 10.7270/Q25Q4X6S
					More data for this Ligand-Target Pair

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