Compile Data Set for Download or QSAR

Found 495 hits with Last Name = 'wolfson' and Initial = 'sg'   

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 JAK1 (Homo sapiens (Human))	BDBM113220 (US8633206, 139) Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)| Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00125	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00133	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00199	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113220 (US8633206, 139) Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)| Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00405	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113214 (US8633206, 133) Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H33N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(H,21,22,23)/t14-,15+,16+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00508	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00767	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113218 (US8633206, 137) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00777	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0165	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113214 (US8633206, 133) Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H33N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(H,21,22,23)/t14-,15+,16+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0199	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113215 (US8633206, 134) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OC(=O)C(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-2,1.15,;-.67,.38,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;2,1.93,;4.67,1.93,;6,2.69,;6,4.23,;7.34,1.93,;8.67,2.69,;7.34,.38,;8.67,1.15,;-3.33,.38,;-4.67,-.38,;-7.34,-1.93,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.69,)| Show InChI InChI=1S/C24H37N5O4S/c1-24(2,3)23(30)33-19-6-5-13-29(14-19)34(31,32)15-17-7-9-18(10-8-17)28(4)22-20-11-12-25-21(20)26-16-27-22/h11-12,16-19H,5-10,13-15H2,1-4H3,(H,25,26,27)/t17-,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0227	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113221 (US8633206, 140) Show SMILES CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)| Show InChI InChI=1S/C23H38N5O6PS/c1-4-32-35(29,33-5-2)34-20-7-6-14-28(15-20)36(30,31)16-18-8-10-19(11-9-18)27(3)23-21-12-13-24-22(21)25-17-26-23/h12-13,17-20H,4-11,14-16H2,1-3H3,(H,24,25,26)/t18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0235	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113217 (US8633206, 136) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0245	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113222 (US8633206, 141) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)| Show InChI InChI=1S/C19H30N5O6PS/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-32(28,29)24-10-2-3-16(11-24)30-31(25,26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,20,21,22)(H2,25,26,27)/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0263	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113218 (US8633206, 137) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0366	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113220 (US8633206, 139) Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)| Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0368	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113214 (US8633206, 133) Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H33N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(H,21,22,23)/t14-,15+,16+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0421	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113222 (US8633206, 141) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)| Show InChI InChI=1S/C19H30N5O6PS/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-32(28,29)24-10-2-3-16(11-24)30-31(25,26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,20,21,22)(H2,25,26,27)/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.106	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113217 (US8633206, 136) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.109	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113221 (US8633206, 140) Show SMILES CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)| Show InChI InChI=1S/C23H38N5O6PS/c1-4-32-35(29,33-5-2)34-20-7-6-14-28(15-20)36(30,31)16-18-8-10-19(11-9-18)27(3)23-21-12-13-24-22(21)25-17-26-23/h12-13,17-20H,4-11,14-16H2,1-3H3,(H,24,25,26)/t18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.116	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113215 (US8633206, 134) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OC(=O)C(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-2,1.15,;-.67,.38,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;2,1.93,;4.67,1.93,;6,2.69,;6,4.23,;7.34,1.93,;8.67,2.69,;7.34,.38,;8.67,1.15,;-3.33,.38,;-4.67,-.38,;-7.34,-1.93,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.69,)| Show InChI InChI=1S/C24H37N5O4S/c1-24(2,3)23(30)33-19-6-5-13-29(14-19)34(31,32)15-17-7-9-18(10-8-17)28(4)22-20-11-12-25-21(20)26-16-27-22/h11-12,16-19H,5-10,13-15H2,1-4H3,(H,25,26,27)/t17-,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.129	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.132	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.198	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113218 (US8633206, 137) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.302	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336163 (8-[(5-Chloro-2-{4-[(1-methyl-1H-pyrazol-4-yl)methy...) Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(O)=O)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C34H31ClFN9O4/c35-28-16-38-29(43-11-9-42(10-12-43)17-20-15-39-44(18-20)19-30(46)47)14-27(28)34(49)40-23-5-1-21-2-8-25-31(33(37)48)41-45(32(25)26(21)13-23)24-6-3-22(36)4-7-24/h1,3-7,13-16,18H,2,8-12,17,19H2,(H2,37,48)(H,40,49)(H,46,47)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336181 (1-(4-{[3-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-...) Show SMILES Cn1cc(CN2CCN(C(C2)C(O)=O)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C34H31ClFN9O4/c1-42-16-19(14-39-42)17-43-10-11-44(28(18-43)34(48)49)29-13-26(27(35)15-38-29)33(47)40-22-6-2-20-3-9-24-30(32(37)46)41-45(31(24)25(20)12-22)23-7-4-21(36)5-8-23/h2,4-8,12-16,28H,3,9-11,17-18H2,1H3,(H2,37,46)(H,40,47)(H,48,49)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336172 (8-(5-chloro-2-(4-hydroxypiperidin-1-yl)isonicotina...) Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCC(O)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C29H26ClFN6O3/c30-24-15-33-25(36-11-9-20(38)10-12-36)14-23(24)29(40)34-18-5-1-16-2-8-21-26(28(32)39)35-37(27(21)22(16)13-18)19-6-3-17(31)4-7-19/h1,3-7,13-15,20,38H,2,8-12H2,(H2,32,39)(H,34,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336173 (8-(5-chloro-2-(2-methoxyethylamino)isonicotinamido...) Show SMILES COCCNc1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C27H24ClFN6O3/c1-38-11-10-31-23-13-21(22(28)14-32-23)27(37)33-17-6-2-15-3-9-19-24(26(30)36)34-35(25(19)20(15)12-17)18-7-4-16(29)5-8-18/h2,4-8,12-14H,3,9-11H2,1H3,(H2,30,36)(H,31,32)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113222 (US8633206, 141) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OP(O)(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.11,.38,;-6.77,-.38,;-5.44,.38,;-5.44,1.93,;-4.1,2.69,;-2.77,1.93,;-1.44,2.69,;-.1,1.93,;-.87,.59,;.67,.59,;1.23,2.69,;1.23,4.23,;2.56,5,;3.9,4.23,;3.9,2.69,;2.56,1.93,;5.23,1.93,;6.57,2.7,;8.11,2.7,;7.34,1.36,;6.57,4.24,;-2.77,.38,;-4.1,-.38,;-6.77,-1.93,;-8.11,-2.69,;-8.11,-4.23,;-6.77,-5,;-5.44,-4.23,;-3.97,-4.71,;-3.07,-3.47,;-3.97,-2.22,;-5.44,-2.69,)| Show InChI InChI=1S/C19H30N5O6PS/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-32(28,29)24-10-2-3-16(11-24)30-31(25,26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,20,21,22)(H2,25,26,27)/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.768	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336193 (8-{[2-(4-{[1-(2-Amino-2-oxoethyl)-1H-pyrazol-4-yl]...) Show SMILES NC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C34H32ClFN10O3/c35-28-16-39-30(44-11-9-43(10-12-44)17-20-15-40-45(18-20)19-29(37)47)14-27(28)34(49)41-23-5-1-21-2-8-25-31(33(38)48)42-46(32(25)26(21)13-23)24-6-3-22(36)4-7-24/h1,3-7,13-16,18H,2,8-12,17,19H2,(H2,37,47)(H2,38,48)(H,41,49)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336176 (CHEMBL1669565 | Ethyl [4-({4-[4-({[3-(aminocarbony...) Show SMILES CCOC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C36H35ClFN9O4/c1-2-51-32(48)21-46-20-22(17-41-46)19-44-11-13-45(14-12-44)31-16-29(30(37)18-40-31)36(50)42-25-7-3-23-4-10-27-33(35(39)49)43-47(34(27)28(23)15-25)26-8-5-24(38)6-9-26/h3,5-9,15-18,20H,2,4,10-14,19,21H2,1H3,(H2,39,49)(H,42,50)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336199 (8-[(5-Chloro-2-{4-[(1-{2-[(2-hydroxyethyl)amino]-2...) Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)NCCO)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C36H36ClFN10O4/c37-30-18-41-31(46-12-10-45(11-13-46)19-22-17-42-47(20-22)21-32(50)40-9-14-49)16-29(30)36(52)43-25-5-1-23-2-8-27-33(35(39)51)44-48(34(27)28(23)15-25)26-6-3-24(38)4-7-26/h1,3-7,15-18,20,49H,2,8-14,19,21H2,(H2,39,51)(H,40,50)(H,43,52)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336190 (CHEMBL1669596 | Methyl [4-({4-[4-({[3-(aminocarbon...) Show SMILES COC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C35H33ClFN9O4/c1-50-31(47)20-45-19-21(16-40-45)18-43-10-12-44(13-11-43)30-15-28(29(36)17-39-30)35(49)41-24-6-2-22-3-9-26-32(34(38)48)42-46(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,48)(H,41,49)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113085 (US8633206, 3) Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336170 (8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...) Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2cccc(O)c2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H28ClN7O3/c1-35-9-11-36(12-10-35)25-15-23(24(30)16-32-25)29(40)33-18-7-5-17-6-8-21-26(28(31)39)34-37(27(21)22(17)13-18)19-3-2-4-20(38)14-19/h2-5,7,13-16,38H,6,8-12H2,1H3,(H2,31,39)(H,33,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113217 (US8633206, 136) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336191 (2-methoxyethyl 2-(4-((4-(4-(3-carbamoyl-1-(4-fluor...) Show SMILES COCCOC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H37ClFN9O5/c1-52-14-15-53-33(49)22-47-21-23(18-42-47)20-45-10-12-46(13-11-45)32-17-30(31(38)19-41-32)37(51)43-26-6-2-24-3-9-28-34(36(40)50)44-48(35(28)29(24)16-26)27-7-4-25(39)5-8-27/h2,4-8,16-19,21H,3,9-15,20,22H2,1H3,(H2,40,50)(H,43,51)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336197 (8-[(5-Chloro-2-{4-[(1-{2-[(2-methoxyethyl)amino]-2...) Show SMILES COCCNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H38ClFN10O4/c1-53-15-10-41-33(50)22-48-21-23(18-43-48)20-46-11-13-47(14-12-46)32-17-30(31(38)19-42-32)37(52)44-26-6-2-24-3-9-28-34(36(40)51)45-49(35(28)29(24)16-26)27-7-4-25(39)5-8-27/h2,4-8,16-19,21H,3,9-15,20,22H2,1H3,(H2,40,51)(H,41,50)(H,44,52)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113179 (US8633206, 97) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CSc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-1.97,;5.5,-2.74,;4.17,-1.97,;4.17,-.43,;2.84,.34,;1.5,-.43,;.17,.34,;-1.16,-.43,;-1.16,-1.97,;.17,-1.2,;-2.5,.34,;-2.48,1.88,;-3.95,2.36,;-4.85,1.11,;-5.62,-.22,;-5.94,2.2,;-5.54,3.69,;-6.63,4.78,;-6.23,6.27,;-7.32,7.36,;-8.81,6.96,;-9.21,5.47,;-8.12,4.38,;-3.95,-.13,;1.5,-1.97,;2.84,-2.74,;5.5,-4.28,;4.17,-5.05,;4.17,-6.59,;5.5,-7.36,;6.84,-6.59,;8.3,-7.06,;9.21,-5.82,;8.3,-4.57,;6.84,-5.05,)| Show InChI InChI=1S/C24H32N6O3S2/c1-29(23-20-9-12-26-22(20)27-17-28-23)19-7-5-18(6-8-19)14-35(32,33)30-13-10-24(31,15-30)16-34-21-4-2-3-11-25-21/h2-4,9,11-12,17-19,31H,5-8,10,13-16H2,1H3,(H,26,27,28)/t18-,19-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.36	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50336194 (8-({5-Chloro-2-[4-({1-[2-(methylamino)-2-oxoethyl]...) Show SMILES CNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C35H34ClFN10O3/c1-39-31(48)20-46-19-21(16-41-46)18-44-10-12-45(13-11-44)30-15-28(29(36)17-40-30)35(50)42-24-6-2-22-3-9-26-32(34(38)49)43-47(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,49)(H,39,48)(H,42,50)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113122 (US8633206, 40) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113108 (US8633206, 26) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)OC(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.15,(-9.1,.53,;-7.76,-.24,;-6.43,.53,;-6.43,2.07,;-5.1,2.84,;-3.76,2.07,;-2.43,2.84,;-1.09,2.07,;-1.86,.74,;-.32,.74,;.24,2.84,;.24,4.38,;1.7,4.86,;2.61,3.61,;1.7,2.37,;4.1,4.01,;5.19,2.92,;4.79,1.43,;6.67,3.32,;7.76,2.23,;7.76,.69,;9.1,3,;9.1,1.46,;-3.76,.53,;-5.1,-.24,;-7.76,-1.78,;-9.1,-2.55,;-9.1,-4.09,;-7.76,-4.86,;-6.43,-4.09,;-4.96,-4.56,;-4.06,-3.32,;-4.96,-2.07,;-6.43,-2.55,)| Show InChI InChI=1S/C23H36N6O4S/c1-23(2,3)33-22(30)27-17-10-12-29(13-17)34(31,32)14-16-5-7-18(8-6-16)28(4)21-19-9-11-24-20(19)25-15-26-21/h9,11,15-18H,5-8,10,12-14H2,1-4H3,(H,27,30)(H,24,25,26)/t16-,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113195 (US8633206, 113) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2nnn[nH]2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.28,-.4,;4.94,-1.17,;3.61,-.4,;3.61,1.14,;2.28,1.91,;.94,1.14,;-.39,1.91,;-1.72,1.14,;-1.72,-.4,;-.39,.37,;-3.06,1.91,;-3.46,3.4,;-4.94,3,;-4.55,1.51,;-6.28,3.77,;-7.74,3.3,;-8.65,4.54,;-7.74,5.79,;-6.28,5.31,;.94,-.4,;2.28,-1.17,;4.94,-2.71,;3.61,-3.48,;3.61,-5.02,;4.94,-5.79,;6.28,-5.02,;7.74,-5.49,;8.65,-4.25,;7.74,-3,;6.28,-3.48,)| Show InChI InChI=1S/C18H25N9O2S/c1-26(18-15-6-7-19-17(15)20-11-21-18)14-4-2-12(3-5-14)10-30(28,29)27-8-13(9-27)16-22-24-25-23-16/h6-7,11-14H,2-5,8-10H2,1H3,(H,19,20,21)(H,22,23,24,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113127 (US8633206, 45) Show SMILES COCCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:14.14,wD:17.21,(-8.52,-1.15,;-8.52,.38,;-7.19,1.15,;-7.19,2.69,;-5.85,3.47,;-4.52,4.23,;-3.19,3.47,;-3.19,1.93,;-4.52,1.15,;-5.85,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-.52,1.93,;.82,1.15,;2.15,1.92,;3.48,1.15,;3.48,-.39,;2.15,-1.15,;.82,-.39,;4.82,-1.16,;6.15,-.39,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,;-5.85,5,;-4.52,5.78,;-7.19,5.78,)| Show InChI InChI=1S/C23H36N6O4S/c1-28(21-19-7-11-25-20(19)26-16-27-21)18-5-3-17(4-6-18)15-34(31,32)29-12-8-23(9-13-29,22(24)30)10-14-33-2/h7,11,16-18H,3-6,8-10,12-15H2,1-2H3,(H2,24,30)(H,25,26,27)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.59	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50308585 (8-{[5-Chloro-2-(4-methylpiperazin-1-yl)isonicotino...) Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2 in human PBMC				Bioorg Med Chem 19: 1242-55 (2011) Article DOI: 10.1016/j.bmc.2010.12.027 BindingDB Entry DOI: 10.7270/Q2F76CTN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113102 (US8633206, 20) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C22H34N6O3S/c1-16(29)24-12-18-4-3-11-28(13-18)32(30,31)14-17-5-7-19(8-6-17)27(2)22-20-9-10-23-21(20)25-15-26-22/h9-10,15,17-19H,3-8,11-14H2,1-2H3,(H,24,29)(H,23,25,26)/t17-,18?,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.66	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113155 (US8633206, 73) Show SMILES COC[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,3.2,wD:15.19,(-7.72,6.54,;-7.32,5.06,;-5.83,4.66,;-5.43,3.17,;-6.34,1.93,;-5.43,.68,;-3.99,1.16,;-3.97,2.7,;-2.65,.39,;-2.65,-1.15,;-1.32,-.38,;-1.32,1.16,;.01,.39,;1.35,1.16,;2.68,.39,;2.68,-1.15,;1.35,-1.92,;.01,-1.15,;4.02,-1.92,;5.35,-1.15,;4.02,-3.46,;2.68,-4.23,;2.68,-5.77,;4.02,-6.54,;5.35,-5.77,;6.81,-6.25,;7.72,-5,;6.81,-3.76,;5.35,-4.23,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-7-9-21-19(18)22-14-23-20)17-5-3-15(4-6-17)13-29(26,27)25-10-8-16(11-25)12-28-2/h7,9,14-17H,3-6,8,10-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.69	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113210 (US8633206, 129) Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H31N5O3S/c1-14-10-15(12-29(27,28)25-9-3-4-16(26)11-25)5-6-18(14)24(2)20-17-7-8-21-19(17)22-13-23-20/h7-8,13-16,18,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15+,16-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113142 (US8633206, 60) Show SMILES CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(12-25)28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113221 (US8633206, 140) Show SMILES CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)| Show InChI InChI=1S/C23H38N5O6PS/c1-4-32-35(29,33-5-2)34-20-7-6-14-28(15-20)36(30,31)16-18-8-10-19(11-9-18)27(3)23-21-12-13-24-22(21)25-17-26-23/h12-13,17-20H,4-11,14-16H2,1-3H3,(H,24,25,26)/t18-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113172 (US8633206, 90) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(Cn3cccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(5.04,-1.36,;3.71,-2.13,;2.38,-1.36,;2.38,.18,;1.04,.95,;-.29,.18,;-1.62,.95,;-2.96,.18,;-2.96,-1.36,;-1.62,-.59,;-4.29,.95,;-4.27,2.49,;-5.74,2.96,;-6.64,1.72,;-7.41,.38,;-7.41,3.05,;-6.64,4.38,;-7.12,5.85,;-5.87,6.75,;-4.63,5.85,;-5.1,4.38,;-5.74,.47,;-.29,-1.36,;1.04,-2.13,;3.71,-3.67,;2.38,-4.44,;2.38,-5.98,;3.71,-6.75,;5.04,-5.98,;6.51,-6.46,;7.41,-5.21,;6.51,-3.97,;5.04,-4.44,)| Show InChI InChI=1S/C22H31N7O3S/c1-27(21-19-7-10-23-20(19)24-16-25-21)18-5-3-17(4-6-18)13-33(31,32)29-12-8-22(30,15-29)14-28-11-2-9-26-28/h2,7,9-11,16-18,30H,3-6,8,12-15H2,1H3,(H,23,24,25)/t17-,18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 495 total )  |  Next  |  Last  >>

Jump to: