Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'elsayed' and Initial = 'ms'   

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 JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	0.241	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.42	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.65	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.81	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412673 (US10399979, Compound 13c) Show SMILES CCOC(=O)C(CC)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |w:8.7| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412673 (US10399979, Compound 13c) Show SMILES CCOC(=O)C(CC)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |w:8.7| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.93	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.24	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.55	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2.92	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.12	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412690 (US10399979, Compound 20a) Show SMILES CC[C@H](C(=O)N1CC(C1)C#N)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.37	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412690 (US10399979, Compound 20a) Show SMILES CC[C@H](C(=O)N1CC(C1)C#N)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3.57	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4.23	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4.35	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412684 (US10399979, Compound 17h) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCNC3)c(=O)c2cc1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	5.28	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466000 (CHEMBL4287893) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCNC3)c(=O)c2cc1OC |r| Show InChI InChI=1S/C21H22N4O3/c1-27-17-8-14-15(9-18(17)28-2)21(26)25(12-4-3-6-22-10-12)19-13-5-7-23-20(13)24-11-16(14)19/h5,7-9,11-12,22H,3-4,6,10H2,1-2H3,(H,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	6.59	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8.38	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50466000 (CHEMBL4287893) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCNC3)c(=O)c2cc1OC |r| Show InChI InChI=1S/C21H22N4O3/c1-27-17-8-14-15(9-18(17)28-2)21(26)25(12-4-3-6-22-10-12)19-13-5-7-23-20(13)24-11-16(14)19/h5,7-9,11-12,22H,3-4,6,10H2,1-2H3,(H,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412684 (US10399979, Compound 17h) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCNC3)c(=O)c2cc1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
					More data for this Ligand-Target Pair

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