Compile Data Set for Download or QSAR

Found 385 hits with Last Name = 'dai' and Initial = 'w'   

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
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526135 (CHEMBL4593975) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccccc2O)on1 Show InChI InChI=1S/C17H15N3O3S/c1-3-16(22)20(9-12-8-11(2)19-23-12)17-18-14(10-24-17)13-6-4-5-7-15(13)21/h3-8,10,21H,1,9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387172 (3-(5-((5-chloro-2-((1-(6-methoxypyridin-3-yl)-1H-p...) Show SMILES COc1ccc(cn1)-n1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1 Show InChI InChI=1S/C23H24ClN9O2/c1-35-20-3-2-18(9-26-20)33-13-17(8-28-33)30-23-27-10-19(24)22(31-23)29-16-6-14-11-32(12-15(14)7-16)21(34)4-5-25/h2-3,8-10,13-16H,4,6-7,11-12H2,1H3,(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Glutathione S-transferase omega-1 (Homo sapiens (Human))	BDBM50526136 (CHEMBL4513682) Show SMILES Cc1cc(CN(C(=O)C=C)c2nc(cs2)-c2ccc(Cl)cc2O)on1 Show InChI InChI=1S/C17H14ClN3O3S/c1-3-16(23)21(8-12-6-10(2)20-24-12)17-19-14(9-25-17)13-5-4-11(18)7-15(13)22/h3-7,9,22H,1,8H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins ...				J Med Chem 62: 3068-3087 (2019) Article DOI: 10.1021/acs.jmedchem.8b01960 BindingDB Entry DOI: 10.7270/Q2TQ64ZS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239977 (US9403801, 48) Show SMILES Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CCC2(CC1)CCN(CC2)C(=O)CC#N Show InChI InChI=1S/C24H31ClN8O/c25-20-14-27-23(30-19-13-28-33(16-19)15-17-1-2-17)31-22(20)29-18-3-6-24(7-4-18)8-11-32(12-9-24)21(34)5-10-26/h13-14,16-18H,1-9,11-12,15H2,(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239968 (US9403801, 33) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)c3ccc(cn3)C#N)n2)cn1 Show InChI InChI=1S/C21H22ClN9/c1-30-12-17(8-26-30)28-21-25-9-18(22)20(29-21)27-16-4-14-10-31(11-15(14)5-16)19-3-2-13(6-23)7-24-19/h2-3,7-9,12,14-16H,4-5,10-11H2,1H3,(H2,25,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239976 (US9403801, 46) Show SMILES Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CC2CN(CC2C1)C(=O)CC#N Show InChI InChI=1S/C21H25ClN8O/c22-18-8-24-21(27-17-7-25-30(12-17)9-13-1-2-13)28-20(18)26-16-5-14-10-29(11-15(14)6-16)19(31)3-4-23/h7-8,12-16H,1-3,5-6,9-11H2,(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387194 (5-((5-chloro-2-((1-(2-hydroxypropyl)-1H-pyrazol-4-...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C20H29ClN8O3S/c1-12(30)8-28-11-17(6-23-28)25-20-22-7-18(21)19(26-20)24-16-4-13-9-29(10-14(13)5-16)33(31,32)27-15-2-3-15/h6-7,11-16,27,30H,2-5,8-10H2,1H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387171 (3-(5-((5-chloro-2-((1-(pyridin-2-yl)-1H-pyrazol-4-...) Show SMILES Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N Show InChI InChI=1S/C22H22ClN9O/c23-18-10-26-22(29-17-9-27-32(13-17)19-3-1-2-6-25-19)30-21(18)28-16-7-14-11-31(12-15(14)8-16)20(33)4-5-24/h1-3,6,9-10,13-16H,4,7-8,11-12H2,(H2,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387182 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C17H25ClN8O2S/c1-3-21-29(27,28)26-8-11-4-13(5-12(11)9-26)22-16-15(18)7-19-17(24-16)23-14-6-20-25(2)10-14/h6-7,10-13,21H,3-5,8-9H2,1-2H3,(H2,19,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387192 (5-((5-chloro-2-((1-(2-hydroxypropyl)-1H-pyrazol-4-...) Show SMILES CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(CC(C)O)c2)ncc1Cl Show InChI InChI=1S/C19H29ClN8O3S/c1-3-23-32(30,31)28-9-13-4-15(5-14(13)10-28)24-18-17(20)7-21-19(26-18)25-16-6-22-27(11-16)8-12(2)29/h6-7,11-15,23,29H,3-5,8-10H2,1-2H3,(H2,21,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387184 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239955 (US9403801, 14A | US9403801, 14B) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(3.63,-2.93,;2.09,-2.93,;1.18,-4.18,;-.28,-3.7,;-1.62,-4.47,;-2.95,-3.7,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-2.95,-2.16,;-.28,-2.16,;1.18,-1.69,)| Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239965 (US9403801, 30) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)C(F)(F)F)n2)cn1 Show InChI InChI=1S/C20H25ClF3N7O/c1-30-12-14(10-26-30)28-18-25-11-15(21)16(29-18)27-13-2-4-19(5-3-13)6-8-31(9-7-19)17(32)20(22,23)24/h10-13H,2-9H2,1H3,(H2,25,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239963 (US9403801, 28) Show SMILES CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1 Show InChI InChI=1S/C20H28ClN7O/c1-14(29)28-9-7-20(8-10-28)5-3-15(4-6-20)24-18-17(21)12-22-19(26-18)25-16-11-23-27(2)13-16/h11-13,15H,3-10H2,1-2H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387181 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C19H25ClN8O/c1-27-10-15(6-22-27)24-18-21-7-16(20)17(26-18)23-14-4-11-8-28(9-12(11)5-14)19(29)25-13-2-3-13/h6-7,10-14H,2-5,8-9H2,1H3,(H,25,29)(H2,21,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387187 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C19H28ClN7O3S/c1-19(2,28)11-26-10-15(6-22-26)24-18-21-7-16(20)17(25-18)23-14-4-12-8-27(31(3,29)30)9-13(12)5-14/h6-7,10,12-14,28H,4-5,8-9,11H2,1-3H3,(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387191 (1-(4-((5-chloro-4-((2-(cyclopropylsulfonyl)octahyd...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)C3CC3)n2)cn1 Show InChI InChI=1S/C20H28ClN7O3S/c1-12(29)8-27-11-16(6-23-27)25-20-22-7-18(21)19(26-20)24-15-4-13-9-28(10-14(13)5-15)32(30,31)17-2-3-17/h6-7,11-15,17,29H,2-5,8-10H2,1H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387193 (1-(4-((5-chloro-4-((2-((cyclopropylmethyl)sulfonyl...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)CC3CC3)n2)cn1 Show InChI InChI=1S/C21H30ClN7O3S/c1-13(30)8-28-11-18(6-24-28)26-21-23-7-19(22)20(27-21)25-17-4-15-9-29(10-16(15)5-17)33(31,32)12-14-2-3-14/h6-7,11,13-17,30H,2-5,8-10,12H2,1H3,(H2,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239981 (US9403801, 59) Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H25N9/c1-14-8-25-22(28-19-10-26-30(2)13-19)29-21(14)27-18-5-16-11-31(12-17(16)6-18)20-4-3-15(7-23)9-24-20/h3-4,8-10,13,16-18H,5-6,11-12H2,1-2H3,(H2,25,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM239955 (US9403801, 14A | US9403801, 14B) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(3.63,-2.93,;2.09,-2.93,;1.18,-4.18,;-.28,-3.7,;-1.62,-4.47,;-2.95,-3.7,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-2.95,-2.16,;-.28,-2.16,;1.18,-1.69,)| Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity approx...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239953 (US9403801, 12) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1 Show InChI InChI=1S/C18H21ClN8O/c1-26-10-14(6-22-26)24-18-21-7-15(19)17(25-18)23-13-4-11-8-27(9-12(11)5-13)16(28)2-3-20/h6-7,10-13H,2,4-5,8-9H2,1H3,(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387184 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239966 (US9403801, 31) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C16H22ClN7O2S/c1-23-9-13(5-19-23)21-16-18-6-14(17)15(22-16)20-12-3-10-7-24(27(2,25)26)8-11(10)4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387177 (US9938257, Example 15 | ethyl 5-((5-chloro-2-((1-m...) Show SMILES CCOC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C18H24ClN7O2/c1-3-28-18(27)26-8-11-4-13(5-12(11)9-26)22-16-15(19)7-20-17(24-16)23-14-6-21-25(2)10-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387187 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C19H28ClN7O3S/c1-19(2,28)11-26-10-15(6-22-26)24-18-21-7-16(20)17(25-18)23-14-4-12-8-27(31(3,29)30)9-13(12)5-14/h6-7,10,12-14,28H,4-5,8-9,11H2,1-3H3,(H2,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239969 (US9403801, 34) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)C(F)(F)F)n2)cn1 Show InChI InChI=1S/C17H19ClF3N7O/c1-27-8-12(4-23-27)25-16-22-5-13(18)14(26-16)24-11-2-9-6-28(7-10(9)3-11)15(29)17(19,20)21/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239970 (US9403801, 35) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC(F)(F)F)CC4C3)n2)cn1 Show InChI InChI=1S/C17H21ClF3N7/c1-27-8-13(4-23-27)25-16-22-5-14(18)15(26-16)24-12-2-10-6-28(7-11(10)3-12)9-17(19,20)21/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239985 (US9403801, 64) Show SMILES Cc1nn(C)cc1Nc1ncc(Cl)c(NC2CC3CN(CC3C2)C(=O)CC#N)n1 Show InChI InChI=1S/C19H23ClN8O/c1-11-16(10-27(2)26-11)24-19-22-7-15(20)18(25-19)23-14-5-12-8-28(9-13(12)6-14)17(29)3-4-21/h7,10,12-14H,3,5-6,8-9H2,1-2H3,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239954 (US9403801, 13.3A | US9403801, 13.3B) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1 |(5.29,-2.93,;3.75,-2.93,;2.84,-4.18,;1.38,-3.7,;.05,-4.47,;-1.29,-3.7,;-2.62,-4.47,;-3.96,-3.7,;-3.96,-2.16,;-5.29,-1.39,;-2.62,-1.39,;-2.62,.15,;-1.29,.92,;.05,.15,;1.38,.92,;1.38,2.46,;1.38,4,;2.84,4.47,;3.75,3.23,;2.84,1.98,;.05,3.23,;-1.29,2.46,;-1.29,-2.16,;1.38,-2.16,;2.84,-1.69,)| Show InChI InChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239954 (US9403801, 13.3A | US9403801, 13.3B) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1 |(5.29,-2.93,;3.75,-2.93,;2.84,-4.18,;1.38,-3.7,;.05,-4.47,;-1.29,-3.7,;-2.62,-4.47,;-3.96,-3.7,;-3.96,-2.16,;-5.29,-1.39,;-2.62,-1.39,;-2.62,.15,;-1.29,.92,;.05,.15,;1.38,.92,;1.38,2.46,;1.38,4,;2.84,4.47,;3.75,3.23,;2.84,1.98,;.05,3.23,;-1.29,2.46,;-1.29,-2.16,;1.38,-2.16,;2.84,-1.69,)| Show InChI InChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239955 (US9403801, 14A | US9403801, 14B) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1 |(3.63,-2.93,;2.09,-2.93,;1.18,-4.18,;-.28,-3.7,;-1.62,-4.47,;-2.95,-3.7,;-4.28,-4.47,;-5.62,-3.7,;-5.62,-2.16,;-6.95,-1.39,;-4.28,-1.39,;-4.28,.15,;-2.95,.92,;-1.62,.15,;-.28,.92,;-.28,2.46,;-.28,4,;1.18,4.47,;2.09,3.23,;1.18,1.98,;3.58,2.83,;4.66,3.92,;3.97,1.34,;5.46,.94,;6.95,.54,;-1.62,3.23,;-2.95,2.46,;-2.95,-2.16,;-.28,-2.16,;1.18,-1.69,)| Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239958 (US9403801, 22) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4CN(CC4C3)C(=O)CC#N)n2)cn1 Show InChI InChI=1S/C19H23ClN8O/c1-27-11-15(7-23-27)25-19-22-8-16(20)18(26-19)24-14-3-2-12-9-28(10-13(12)6-14)17(29)4-5-21/h7-8,11-14H,2-4,6,9-10H2,1H3,(H2,22,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239961 (US9403801, 26) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)cn1 Show InChI InChI=1S/C21H27ClN8O/c1-29-14-16(12-25-29)27-20-24-13-17(22)19(28-20)26-15-2-5-21(6-3-15)7-10-30(11-8-21)18(31)4-9-23/h12-15H,2-8,10-11H2,1H3,(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239964 (US9403801, 29) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C19H28ClN7O2S/c1-26-13-15(11-22-26)24-18-21-12-16(20)17(25-18)23-14-3-5-19(6-4-14)7-9-27(10-8-19)30(2,28)29/h11-14H,3-10H2,1-2H3,(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387170 (3-(5-((5-chloro-2-((1-(2-hydroxy-2-methylpropyl)-1...) Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1 Show InChI InChI=1S/C21H27ClN8O2/c1-21(2,32)12-30-11-16(7-25-30)27-20-24-8-17(22)19(28-20)26-15-5-13-9-29(10-14(13)6-15)18(31)3-4-23/h7-8,11,13-15,32H,3,5-6,9-10,12H2,1-2H3,(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387182 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C17H25ClN8O2S/c1-3-21-29(27,28)26-8-11-4-13(5-12(11)9-26)22-16-15(18)7-19-17(24-16)23-14-6-20-25(2)10-14/h6-7,10-13,21H,3-5,8-9H2,1-2H3,(H2,19,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387185 (1-(4-((5-chloro-4-((3-(methylsulfonyl)-3-azaspiro[...) Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C22H34ClN7O3S/c1-21(2,31)15-29-14-17(12-25-29)27-20-24-13-18(23)19(28-20)26-16-4-6-22(7-5-16)8-10-30(11-9-22)34(3,32)33/h12-14,16,31H,4-11,15H2,1-3H3,(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387187 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C19H28ClN7O3S/c1-19(2,28)11-26-10-15(6-22-26)24-18-21-7-16(20)17(25-18)23-14-4-12-8-27(31(3,29)30)9-13(12)5-14/h6-7,10,12-14,28H,4-5,8-9,11H2,1-3H3,(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387180 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES CCNC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C18H25ClN8O/c1-3-20-18(28)27-8-11-4-13(5-12(11)9-27)23-16-15(19)7-21-17(25-16)24-14-6-22-26(2)10-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,20,28)(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239967 (US9403801, 32) Show SMILES CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C17H22ClN7O/c1-10(26)25-7-11-3-13(4-12(11)8-25)21-16-15(18)6-19-17(23-16)22-14-5-20-24(2)9-14/h5-6,9,11-13H,3-4,7-8H2,1-2H3,(H2,19,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239974 (US9403801, 42) Show SMILES Cn1cnc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)c1 Show InChI InChI=1S/C21H27ClN8O/c1-29-13-17(25-14-29)27-20-24-12-16(22)19(28-20)26-15-2-5-21(6-3-15)7-10-30(11-8-21)18(31)4-9-23/h12-15H,2-8,10-11H2,1H3,(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM387184 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(=O)(=O)NC3CC3)n2)cn1 Show InChI InChI=1S/C18H25ClN8O2S/c1-26-10-15(6-21-26)23-18-20-7-16(19)17(24-18)22-14-4-11-8-27(9-12(11)5-14)30(28,29)25-13-2-3-13/h6-7,10-14,25H,2-5,8-9H2,1H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239957 (US9403801, 20) Show SMILES CN(C1CCC2(C1)CCCN(C2)C(=O)CC#N)c1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C21H27ClN8O/c1-28-13-15(11-25-28)26-20-24-12-17(22)19(27-20)29(2)16-4-7-21(10-16)6-3-9-30(14-21)18(31)5-8-23/h11-13,16H,3-7,9-10,14H2,1-2H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387182 (5-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)py...) Show SMILES CCNS(=O)(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl Show InChI InChI=1S/C17H25ClN8O2S/c1-3-21-29(27,28)26-8-11-4-13(5-12(11)9-26)22-16-15(18)7-19-17(24-16)23-14-6-20-25(2)10-14/h6-7,10-13,21H,3-5,8-9H2,1-2H3,(H2,19,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM239968 (US9403801, 33) Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)c3ccc(cn3)C#N)n2)cn1 Show InChI InChI=1S/C21H22ClN9/c1-30-12-17(8-26-30)28-21-25-9-18(22)20(29-21)27-16-4-14-10-31(11-15(14)5-16)19-3-2-13(6-23)7-24-19/h2-3,7-9,12,14-16H,4-5,10-11H2,1H3,(H2,25,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50147472 (3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...) Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCO)c2ncccc12 |t:9| Show InChI InChI=1S/C21H19N3O4/c1-28-16-8-3-2-6-14(16)17-18(21(27)23-20(17)26)15-12-24(10-5-11-25)19-13(15)7-4-9-22-19/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)	PDB MMDB NCI pathway 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C alpha				Eur J Med Chem 164: 448-470 (2019) Article DOI: 10.1016/j.ejmech.2018.12.073 BindingDB Entry DOI: 10.7270/Q2WH2SVB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM239984 (US9403801, 62) Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)S(C)(=O)=O Show InChI InChI=1S/C17H25N7O2S/c1-11-6-18-17(21-15-7-19-23(2)10-15)22-16(11)20-14-4-12-8-24(27(3,25)26)9-13(12)5-14/h6-7,10,12-14H,4-5,8-9H2,1-3H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...				US Patent US9403801 (2016) BindingDB Entry DOI: 10.7270/Q200011G
					More data for this Ligand-Target Pair

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