Compile Data Set for Download or QSAR
Found 85 Enz. Inhib. hit(s) with all data for entry = 50001625
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288372(CHEMBL4173429)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H28N6O3S/c1-16-14-25-23(28-22(16)26-18-5-3-4-17(10-18)15-30)27-19-11-20(29-8-6-24-7-9-29)13-21(12-19)33(2,31)32/h3-5,10-14,24,30H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 3nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288443(CHEMBL4166989)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288439(CHEMBL4163817)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 3nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288511(CHEMBL4171692)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)
Affinity DataIC50: 3nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288438(CHEMBL4173676)
Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)
Affinity DataIC50: 3nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288437(CHEMBL4165758)
Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)
Affinity DataIC50: 3nMAssay Description:GRAC: human PDE2A selective inhibitorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288378(CHEMBL4162065)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 3nMAssay Description:GRAC: human IMPase 1 inhibitorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288437(CHEMBL4165758)
Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)
Affinity DataIC50: 4nMAssay Description:GRAC: human H3 selective antagonistMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288442(CHEMBL4173835)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H32N6O3S/c1-16-12-26-25(30-24(16)28-20-7-5-6-19(8-20)15-32)29-21-9-22(11-23(10-21)35(4,33)34)31-13-17(2)27-18(3)14-31/h5-12,17-18,27,32H,13-15H2,1-4H3,(H2,26,28,29,30)/t17-,18+
Affinity DataIC50: 5nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288376(CHEMBL4177188)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C25H32N6O4S/c1-18-16-26-25(29-24(18)27-20-5-3-4-19(12-20)17-33)28-21-13-22(15-23(14-21)36(2,34)35)31-8-6-30(7-9-31)10-11-32/h3-5,12-16,32-33H,6-11,17H2,1-2H3,(H2,26,27,28,29)
Affinity DataIC50: 6nMAssay Description:GRAC: human p38a selective inhibitorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288512(CHEMBL4163122)
Show SMILES CC(=O)N1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-17-15-26-25(29-24(17)27-20-6-4-5-19(11-20)16-32)28-21-12-22(14-23(13-21)36(3,34)35)31-9-7-30(8-10-31)18(2)33/h4-6,11-15,32H,7-10,16H2,1-3H3,(H2,26,27,28,29)
Affinity DataIC50: 10nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288441(CHEMBL4166565)
Show SMILES COCCN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N6O4S/c1-19-17-27-26(30-25(19)28-21-6-4-5-20(13-21)18-33)29-22-14-23(16-24(15-22)37(3,34)35)32-9-7-31(8-10-32)11-12-36-2/h4-6,13-17,33H,7-12,18H2,1-3H3,(H2,27,28,29,30)
Affinity DataIC50: 12nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288374(CHEMBL4169982)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(27-22(16)25-18-5-3-4-17(10-18)15-29)26-19-11-20(28-6-8-32-9-7-28)13-21(12-19)33(2,30)31/h3-5,10-14,29H,6-9,15H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 13nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288440(CHEMBL4174879)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)C(F)F
Show InChI InChI=1S/C25H28F2N6O/c1-15-11-28-25(31-24(15)29-18-5-3-4-16(6-18)14-34)30-19-7-17(23(26)27)8-20(9-19)33-13-21-10-22(33)12-32(21)2/h3-9,11,21-23,34H,10,12-14H2,1-2H3,(H2,28,29,30,31)/t21-,22-/m0/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288373(CHEMBL4175808)
Show SMILES CC(C)[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
Show InChI InChI=1S/C21H30FN7/c1-12(2)14(4)25-20-13(3)8-24-21(27-20)26-18-7-15(9-23-19(18)22)29-11-16-6-17(29)10-28(16)5/h7-9,12,14,16-17H,6,10-11H2,1-5H3,(H2,24,25,26,27)/t14-,16+,17+/m1/s1
Affinity DataIC50: 26nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288510(CHEMBL4168613)
Show SMILES CCC(CC)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
Show InChI InChI=1S/C21H30FN7/c1-5-14(6-2)25-20-13(3)9-24-21(27-20)26-18-8-15(10-23-19(18)22)29-12-16-7-17(29)11-28(16)4/h8-10,14,16-17H,5-7,11-12H2,1-4H3,(H2,24,25,26,27)/t16-,17-/m0/s1
Affinity DataIC50: 29nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288436(CHEMBL4169221)
Show SMILES CC[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
Show InChI InChI=1S/C20H28FN7/c1-5-13(3)24-19-12(2)8-23-20(26-19)25-17-7-14(9-22-18(17)21)28-11-15-6-16(28)10-27(15)4/h7-9,13,15-16H,5-6,10-11H2,1-4H3,(H2,23,24,25,26)/t13-,15+,16+/m1/s1
Affinity DataIC50: 34nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288438(CHEMBL4173676)
Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50355501(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
Affinity DataIC50: 38nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288377(CHEMBL4165365)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(F)c(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Show InChI InChI=1S/C23H26FN7O/c1-14-9-26-23(29-22(14)27-16-5-3-4-15(6-16)13-32)28-20-8-17(10-25-21(20)24)31-12-18-7-19(31)11-30(18)2/h3-6,8-10,18-19,32H,7,11-13H2,1-2H3,(H2,26,27,28,29)/t18-,19-/m0/s1
Affinity DataIC50: 40nMAssay Description:GRAC: human PDE10A selective inhibitorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288513(CHEMBL4162314)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(F)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 42nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288515(CHEMBL4165506)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Show InChI InChI=1S/C23H28N6O/c1-17-15-24-23(27-22(17)25-19-6-3-5-18(13-19)16-30)26-20-7-4-8-21(14-20)29-11-9-28(2)10-12-29/h3-8,13-15,30H,9-12,16H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 55nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288379(CHEMBL4175654)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c(F)c(c1)C(F)F
Show InChI InChI=1S/C25H27F3N6O/c1-14-10-29-25(32-24(14)30-16-5-3-4-15(6-16)13-35)31-21-9-17(8-20(22(21)26)23(27)28)34-12-18-7-19(34)11-33(18)2/h3-6,8-10,18-19,23,35H,7,11-13H2,1-2H3,(H2,29,30,31,32)/t18-,19-/m0/s1
Affinity DataIC50: 55nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50355501(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288375(CHEMBL4159048)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(F)c(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Show InChI InChI=1S/C24H27FN6O/c1-15-11-26-24(29-23(15)27-17-5-3-4-16(8-17)14-32)28-22-10-18(6-7-21(22)25)31-13-19-9-20(31)12-30(19)2/h3-8,10-11,19-20,32H,9,12-14H2,1-2H3,(H2,26,27,28,29)/t19-,20-/m0/s1
Affinity DataIC50: 117nMAssay Description:Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288512(CHEMBL4163122)
Show SMILES CC(=O)N1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-17-15-26-25(29-24(17)27-20-6-4-5-19(11-20)16-32)28-21-12-22(14-23(13-21)36(3,34)35)31-9-7-30(8-10-31)18(2)33/h4-6,11-15,32H,7-10,16H2,1-3H3,(H2,26,27,28,29)
Affinity DataIC50: 347nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288515(CHEMBL4165506)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Show InChI InChI=1S/C23H28N6O/c1-17-15-24-23(27-22(17)25-19-6-3-5-18(13-19)16-30)26-20-7-4-8-21(14-20)29-11-9-28(2)10-12-29/h3-8,13-15,30H,9-12,16H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 357nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288378(CHEMBL4162065)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 363nMAssay Description:GRAC: human PDE2A selective inhibitorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288437(CHEMBL4165758)
Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)
Affinity DataIC50: 371nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288440(CHEMBL4174879)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)C(F)F
Show InChI InChI=1S/C25H28F2N6O/c1-15-11-28-25(31-24(15)29-18-5-3-4-16(6-18)14-34)30-19-7-17(23(26)27)8-20(9-19)33-13-21-10-22(33)12-32(21)2/h3-9,11,21-23,34H,10,12-14H2,1-2H3,(H2,28,29,30,31)/t21-,22-/m0/s1
Affinity DataIC50: 376nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288374(CHEMBL4169982)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(27-22(16)25-18-5-3-4-17(10-18)15-29)26-19-11-20(28-6-8-32-9-7-28)13-21(12-19)33(2,30)31/h3-5,10-14,29H,6-9,15H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 417nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288438(CHEMBL4173676)
Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)
Affinity DataIC50: 464nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288439(CHEMBL4163817)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 722nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288376(CHEMBL4177188)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C25H32N6O4S/c1-18-16-26-25(29-24(18)27-20-5-3-4-19(12-20)17-33)28-21-13-22(15-23(14-21)36(2,34)35)31-8-6-30(7-9-31)10-11-32/h3-5,12-16,32-33H,6-11,17H2,1-2H3,(H2,26,27,28,29)
Affinity DataIC50: 817nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288511(CHEMBL4171692)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)
Affinity DataIC50: 929nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288372(CHEMBL4173429)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H28N6O3S/c1-16-14-25-23(28-22(16)26-18-5-3-4-17(10-18)15-30)27-19-11-20(29-8-6-24-7-9-29)13-21(12-19)33(2,31)32/h3-5,10-14,24,30H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 951nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288442(CHEMBL4173835)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H32N6O3S/c1-16-12-26-25(30-24(16)28-20-7-5-6-19(8-20)15-32)29-21-9-22(11-23(10-21)35(4,33)34)31-13-17(2)27-18(3)14-31/h5-12,17-18,27,32H,13-15H2,1-4H3,(H2,26,28,29,30)/t17-,18+
Affinity DataIC50: 996nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288441(CHEMBL4166565)
Show SMILES COCCN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N6O4S/c1-19-17-27-26(30-25(19)28-21-6-4-5-20(13-21)18-33)29-22-14-23(16-24(15-22)37(3,34)35)32-9-7-31(8-10-32)11-12-36-2/h4-6,13-17,33H,7-12,18H2,1-3H3,(H2,27,28,29,30)
Affinity DataIC50: 1.03E+3nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288443(CHEMBL4166989)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/s1
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50355501(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
Affinity DataIC50: 1.94E+3nMAssay Description:Inhibition of JAK3 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288513(CHEMBL4162314)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(F)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288378(CHEMBL4162065)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 6.54E+3nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288439(CHEMBL4163817)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288514(CHEMBL4170235)
Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H28N6O3S/c1-28-8-10-29(11-9-28)20-13-19(14-21(15-20)33(2,31)32)26-23-24-7-6-22(27-23)25-18-5-3-4-17(12-18)16-30/h3-7,12-15,30H,8-11,16H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 1.39E+4nMAssay Description:Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288440(CHEMBL4174879)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)C(F)F
Show InChI InChI=1S/C25H28F2N6O/c1-15-11-28-25(31-24(15)29-18-5-3-4-16(6-18)14-34)30-19-7-17(23(26)27)8-20(9-19)33-13-21-10-22(33)12-32(21)2/h3-9,11,21-23,34H,10,12-14H2,1-2H3,(H2,28,29,30,31)/t21-,22-/m0/s1
Affinity DataIC50: 1.81E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288373(CHEMBL4175808)
Show SMILES CC(C)[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
Show InChI InChI=1S/C21H30FN7/c1-12(2)14(4)25-20-13(3)8-24-21(27-20)26-18-7-15(9-23-19(18)22)29-11-16-6-17(29)10-28(16)5/h7-9,12,14,16-17H,6,10-11H2,1-5H3,(H2,24,25,26,27)/t14-,16+,17+/m1/s1
Affinity DataIC50: 1.81E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288515(CHEMBL4165506)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)c1
Show InChI InChI=1S/C23H28N6O/c1-17-15-24-23(27-22(17)25-19-6-3-5-18(13-19)16-30)26-20-7-4-8-21(14-20)29-11-9-28(2)10-12-29/h3-8,13-15,30H,9-12,16H2,1-2H3,(H2,24,25,26,27)
Affinity DataIC50: 2.03E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288373(CHEMBL4175808)
Show SMILES CC(C)[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
Show InChI InChI=1S/C21H30FN7/c1-12(2)14(4)25-20-13(3)8-24-21(27-20)26-18-7-15(9-23-19(18)22)29-11-16-6-17(29)10-28(16)5/h7-9,12,14,16-17H,6,10-11H2,1-5H3,(H2,24,25,26,27)/t14-,16+,17+/m1/s1
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged TYK2 (871 to 1187 residues) expressed in baculovirus expression system using 5FAM-GEEPLYWSFPAKK...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288512(CHEMBL4163122)
Show SMILES CC(=O)N1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-17-15-26-25(29-24(17)27-20-6-4-5-19(11-20)16-32)28-21-12-22(14-23(13-21)36(3,34)35)31-9-7-30(8-10-31)18(2)33/h4-6,11-15,32H,7-10,16H2,1-3H3,(H2,26,27,28,29)
Affinity DataIC50: 2.46E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50288443(CHEMBL4166989)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/s1
Affinity DataIC50: 2.79E+4nMAssay Description:Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...More data for this Ligand-Target Pair
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