Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 6217   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-56.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.300	-53.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-52.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-51.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116316 (US8637526, 277) Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116317 (US8637526, 297) Show SMILES O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-16-6-9-28-10-7-16)18-13-22-26-8-5-19(25-20(18)26)23-17-11-14-3-1-2-4-15(14)12-17/h1-5,8,13,16-17H,6-7,9-12H2,(H,23,25)(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-49.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116314 (US8637526, 240) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1 Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116315 (US8637526, 248) Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM116319 (US8637526, 343) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-47.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50399016 (CHEMBL2178803 | US8637526, 225) Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.30	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.4	-44.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.5	-44.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.2	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.7	-44.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116316 (US8637526, 277) Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17.6	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116316 (US8637526, 277) Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.4	-42.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	28.4	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116319 (US8637526, 343) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28.6	-42.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28.7	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116319 (US8637526, 343) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	29.9	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116312 (US8637526, 226) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32.8	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116314 (US8637526, 240) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1 Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	36.1	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116317 (US8637526, 297) Show SMILES O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-16-6-9-28-10-7-16)18-13-22-26-8-5-19(25-20(18)26)23-17-11-14-3-1-2-4-15(14)12-17/h1-5,8,13,16-17H,6-7,9-12H2,(H,23,25)(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39.7	-41.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116316 (US8637526, 277) Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1 Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43.5	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116313 (US8637526, 231) Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43.8	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM116317 (US8637526, 297) Show SMILES O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-16-6-9-28-10-7-16)18-13-22-26-8-5-19(25-20(18)26)23-17-11-14-3-1-2-4-15(14)12-17/h1-5,8,13,16-17H,6-7,9-12H2,(H,23,25)(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46.6	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116318 (US8637526, 299) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12 |r,wU:1.0,(-2.56,-5.93,;-2.16,-4.44,;-3.25,-3.35,;-2.85,-1.87,;-1.36,-1.47,;-.27,-2.56,;-.67,-4.04,;-.96,.02,;-2.05,1.11,;-3.54,.71,;-1.66,2.6,;-2.56,3.84,;-1.66,5.09,;-.19,4.61,;1.14,5.38,;2.48,4.61,;2.48,3.07,;3.81,2.3,;3.81,.76,;2.56,-.14,;3.04,-1.61,;4.58,-1.61,;5.67,-2.7,;7.16,-2.3,;7.56,-.81,;6.47,.28,;5.06,-.14,;1.14,2.3,;-.19,3.07,)| Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50.9	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50399031 (CHEMBL2178257 | US8637526, 250) Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	55.6	-41.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116314 (US8637526, 240) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1 Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62.4	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM116314 (US8637526, 240) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1 Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	95.1	-39.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116319 (US8637526, 343) Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	97.6	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM116317 (US8637526, 297) Show SMILES O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H23N5O2/c27-21(24-16-6-9-28-10-7-16)18-13-22-26-8-5-19(25-20(18)26)23-17-11-14-3-1-2-4-15(14)12-17/h1-5,8,13,16-17H,6-7,9-12H2,(H,23,25)(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	152	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Genentech, Inc. US Patent					Assay Description To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...				US Patent US8637526 (2014) BindingDB Entry DOI: 10.7270/Q25719Q3
					More data for this Ligand-Target Pair