Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'regnier' and Initial = 'ch'   

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))	BDBM50315236 ((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...) Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312989 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312986 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312980 (CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315240 (1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315238 (8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1 Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315233 ((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312985 (CHEMBL1081664 | N,N,2-trimethyl-4-(7-(4-(morpholin...) Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C Show InChI InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312981 (CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312988 ((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1 Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312978 (7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315235 ((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...) Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315239 (1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1 Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315234 ((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...) Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315241 (8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312983 (7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312975 (7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315248 (4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315247 ((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1 Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312982 ((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312981 (CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315240 (1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312989 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312984 (CHEMBL1081663 | N,N-dimethyl-4-(7-(4-(morpholine-4...) Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1 Show InChI InChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50313807 (CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...) Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312980 (CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315236 ((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...) Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50312982 ((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312988 ((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1 Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315244 (CHEMBL1091565 | morpholino(4-(3-(3,4,5-trimethoxyp...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1 Show InChI InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ABL				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312983 (7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315238 (8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1 Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50315238 (8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1 Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315233 ((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315239 (1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1 Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50312989 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315241 (8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1 Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315243 (2-(4-(7-fluoro-3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1 Show InChI InChI=1S/C29H28FN3O5/c1-35-25-13-20(14-26(36-2)29(25)37-3)24-17-31-23-16-21(30)15-22(28(23)32-24)19-6-4-18(5-7-19)12-27(34)33-8-10-38-11-9-33/h4-7,13-17H,8-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50312981 (CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50312974 (7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...) Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50315236 ((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...) Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315245 (4-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)be...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1 Show InChI InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair

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