Compile Data Set for Download or QSAR
Found 77 of ic50 for UniProtKB: P23458
LigandPNGBDBM50545980(CHEMBL4764019)
Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11F2IN6O2/c18-17(19)28-13-3-2-9(20)6-10(13)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545979(CHEMBL4742159)
Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545960(CHEMBL4740778)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C17H12ClF2N7O2/c18-8-2-3-11(29-17(19)20)9(6-8)13-10(7-23-25-13)24-16(28)12-14(21)26-27-5-1-4-22-15(12)27/h1-7,17H,(H2,21,26)(H,23,25)(H,24,28)
Affinity DataIC50: 4nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545945(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C18H13ClF2N6O2/c1-26-9-13(24-17(28)12-8-23-27-6-2-5-22-16(12)27)15(25-26)11-7-10(19)3-4-14(11)29-18(20)21/h2-9,18H,1H3,(H,24,28)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
LigandPNGBDBM50369720(CHEMBL3979355)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1
Affinity DataIC50: 5nMAssay Description:Inhibition of JAK (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50545961(CHEMBL4793262)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-3-4-13(28-17(19)20)10(6-9)15-11(7-22-25-15)24-16(27)12-8-21-14-2-1-5-23-26(12)14/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 5nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545944(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 5.20nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM521911(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H14F2N6O2/c22-21(23)31-17-9-13-5-2-1-4-12(13)8-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-7-3-6-24-19(15)29/h1-11,21H,(H,25,28)(H,27,30)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545969(CHEMBL4780070)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
Show InChI InChI=1S/C17H10ClF2N5O2S/c18-8-1-2-12(27-17(19)20)9(3-8)14-11(5-23-25-14)24-16(26)10-4-21-6-13-15(10)22-7-28-13/h1-7,17H,(H,23,25)(H,24,26)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545957(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6OS/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
Affinity DataIC50: 11nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545978(CHEMBL4757833)
Show SMILES CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H16F2N6O2/c1-2-11-4-5-15(29-19(20)21)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-10,19H,2H2,1H3,(H,23,26)(H,25,28)
Affinity DataIC50: 13nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545964(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
Show InChI InChI=1S/C19H11ClF2N6O2/c1-2-11-4-6-16-23-9-14(28(16)27-11)18(29)25-13-8-24-26-17(13)12-7-10(20)3-5-15(12)30-19(21)22/h1,3-9,19H,(H,24,26)(H,25,29)
Affinity DataIC50: 13nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM521938(N-[3-(3-methoxy-2-naphthyl)- 1H-pyrazol-4-yl]pyraz...)
Show SMILES COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H16N6O2/c1-29-18-10-14-6-3-2-5-13(14)9-15(18)19-17(12-23-26-19)25-21(28)16-11-24-27-8-4-7-22-20(16)27/h2-12H,1H3,(H,23,26)(H,25,28)
Affinity DataIC50: 14nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545982(CHEMBL4756876)
Show SMILES FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H10ClF3N6O2/c18-9-2-3-11(29-17(20)21)12(13(9)19)14-10(7-23-26-14)25-16(28)8-6-24-27-5-1-4-22-15(8)27/h1-7,17H,(H,23,26)(H,25,28)
Affinity DataIC50: 14nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545981(CHEMBL4794915)
Show SMILES COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H12ClFN6O2/c1-27-12-4-3-10(18)14(19)13(12)15-11(8-21-24-15)23-17(26)9-7-22-25-6-2-5-20-16(9)25/h2-8H,1H3,(H,21,24)(H,23,26)
Affinity DataIC50: 15nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545946(CHEMBL4760562)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
Show InChI InChI=1S/C17H11ClF2N6O2/c18-9-1-2-13(28-17(19)20)10(3-9)15-12(7-23-26-15)24-16(27)11-6-21-4-8-5-22-25-14(8)11/h1-7,17H,(H,22,25)(H,23,26)(H,24,27)
Affinity DataIC50: 18nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545972(CHEMBL4788474)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c[nH]nc12
Show InChI InChI=1S/C18H15ClN6O2/c1-25-9-14(17(24-25)12-5-11(19)3-4-15(12)27-2)22-18(26)13-8-20-6-10-7-21-23-16(10)13/h3-9H,1-2H3,(H,21,23)(H,22,26)
Affinity DataIC50: 20nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545965(CHEMBL4788860)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
Show InChI InChI=1S/C17H10ClF2N5O2S/c18-8-3-4-12(27-17(19)20)9(6-8)13-11(7-22-24-13)23-16(26)15-14-10(25-28-15)2-1-5-21-14/h1-7,17H,(H,22,24)(H,23,26)
Affinity DataIC50: 20nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545954(CHEMBL4762168)
Show SMILES Clc1ccc(OC2CC2)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H15ClN6O2/c20-11-2-5-16(28-12-3-4-12)13(8-11)17-15(10-22-25-17)24-19(27)14-9-23-26-7-1-6-21-18(14)26/h1-2,5-10,12H,3-4H2,(H,22,25)(H,24,27)
Affinity DataIC50: 21nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545975(CHEMBL4784721)
Show SMILES FC(F)Oc1ccc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C18H11F2N7O2/c19-18(20)29-14-3-2-10(7-21)6-11(14)15-13(9-23-26-15)25-17(28)12-8-24-27-5-1-4-22-16(12)27/h1-6,8-9,18H,(H,23,26)(H,25,28)
Affinity DataIC50: 22nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545952(CHEMBL4800012)
Show SMILES COc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13ClN6O2/c1-26-14-4-3-10(18)7-11(14)15-13(9-20-23-15)22-17(25)12-8-21-24-6-2-5-19-16(12)24/h2-9H,1H3,(H,20,23)(H,22,25)
Affinity DataIC50: 23nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50399019(CHEMBL2178801)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
Affinity DataIC50: 25nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
LigandPNGBDBM50545958(CHEMBL4778284)
Show SMILES FC(F)Sc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6OS/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 26nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545977(CHEMBL4760135)
Show SMILES Cc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14F2N6O2/c1-10-3-4-14(28-18(19)20)11(7-10)15-13(9-22-25-15)24-17(27)12-8-23-26-6-2-5-21-16(12)26/h2-9,18H,1H3,(H,22,25)(H,24,27)
Affinity DataIC50: 27nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545963(CHEMBL4760406)
Show SMILES Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1
Show InChI InChI=1S/C18H13ClF2N6O2/c1-9-4-5-27-16(24-9)12(7-23-27)17(28)25-13-8-22-26-15(13)11-6-10(19)2-3-14(11)29-18(20)21/h2-8,18H,1H3,(H,22,26)(H,25,28)
Affinity DataIC50: 34nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545976(CHEMBL4798728)
Show SMILES FC(F)Oc1ccc(F)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11F3N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-8,17H,(H,22,25)(H,24,27)
Affinity DataIC50: 34nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545986(CHEMBL4789075)
Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H11ClF2N6O3/c18-10-4-8(13(5-12(10)27)29-17(19)20)14-11(7-22-25-14)24-16(28)9-6-23-26-3-1-2-21-15(9)26/h1-7,17,27H,(H,22,25)(H,24,28)
Affinity DataIC50: 36nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545970(CHEMBL4778449)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2ccoc12
Show InChI InChI=1S/C18H11ClF2N4O3/c19-10-1-2-14(28-18(20)21)11(5-10)15-13(8-23-25-15)24-17(26)12-7-22-6-9-3-4-27-16(9)12/h1-8,18H,(H,23,25)(H,24,26)
Affinity DataIC50: 36nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545966(CHEMBL4795297)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12
Show InChI InChI=1S/C20H16ClN5O2/c1-26-11-16(19(25-26)14-8-13(21)5-6-17(14)28-2)24-20(27)15-10-22-9-12-4-3-7-23-18(12)15/h3-11H,1-2H3,(H,24,27)
Affinity DataIC50: 38nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 39nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
LigandPNGBDBM50545987(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29)
Affinity DataIC50: 40nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545967(CHEMBL4791878)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H11ClF2N6O2/c18-8-1-2-13(28-17(19)20)9(5-8)14-11(7-23-26-14)25-16(27)12-6-22-15-10(24-12)3-4-21-15/h1-7,17H,(H,21,22)(H,23,26)(H,25,27)
Affinity DataIC50: 42nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545984(CHEMBL4755407)
Show SMILES COc1cc(F)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H12ClFN6O2/c1-27-14-6-12(19)11(18)5-9(14)15-13(8-21-24-15)23-17(26)10-7-22-25-4-2-3-20-16(10)25/h2-8H,1H3,(H,21,24)(H,23,26)
Affinity DataIC50: 42nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50503287(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)
Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
Affinity DataIC50: 45nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
LigandPNGBDBM50545953(CHEMBL4781087)
Show SMILES CCOc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6O2/c1-2-27-15-5-4-11(19)8-12(15)16-14(10-21-24-16)23-18(26)13-9-22-25-7-3-6-20-17(13)25/h3-10H,2H2,1H3,(H,21,24)(H,23,26)
Affinity DataIC50: 54nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM153667(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
Affinity DataIC50: 58nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545956(CHEMBL4790609)
Show SMILES FC(F)(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H10ClF3N6O2/c18-9-2-3-13(29-17(19,20)21)10(6-9)14-12(8-23-26-14)25-16(28)11-7-24-27-5-1-4-22-15(11)27/h1-8H,(H,23,26)(H,25,28)
Affinity DataIC50: 64nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545973(CHEMBL4781423)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cn(C)nc12
Show InChI InChI=1S/C19H17ClN6O2/c1-25-9-11-7-21-8-14(17(11)23-25)19(27)22-15-10-26(2)24-18(15)13-6-12(20)4-5-16(13)28-3/h4-10H,1-3H3,(H,22,27)
Affinity DataIC50: 93nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
LigandPNGBDBM50536198(CHEMBL4534573)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1
Show InChI InChI=1S/C17H19FN4O3S/c1-4-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)22(2)3/h5-9,21,23H,4H2,1-3H3,(H,19,20)
Affinity DataIC50: 100nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50545985(CHEMBL4740223)
Show SMILES COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C17H13ClN6O3/c1-27-14-6-13(25)11(18)5-9(14)15-12(8-20-23-15)22-17(26)10-7-21-24-4-2-3-19-16(10)24/h2-8,25H,1H3,(H,20,23)(H,22,26)
Affinity DataIC50: 140nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536217(CHEMBL4517645)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(C)C)c2cn[nH]c2c1
Show InChI InChI=1S/C18H20FN3O3S/c1-4-11-7-18(23)15(19)8-13(11)12-5-16-14(9-20-21-16)17(6-12)22-26(24,25)10(2)3/h5-10,22-23H,4H2,1-3H3,(H,20,21)
Affinity DataIC50: 162nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536208(CHEMBL4483364)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)
Affinity DataIC50: 170nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536221(CHEMBL4554460)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CC2)c2cn[nH]c2c1
Show InChI InChI=1S/C18H18FN3O3S/c1-2-10-7-18(23)15(19)8-13(10)11-5-16-14(9-20-21-16)17(6-11)22-26(24,25)12-3-4-12/h5-9,12,22-23H,2-4H2,1H3,(H,20,21)
Affinity DataIC50: 200nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50434797(CHEMBL2386653)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H18N4O2/c1-9(20)15-18-12-7-17-14-11(4-5-16-14)13(12)19(15)10-3-2-6-21-8-10/h4-5,7,9-10,20H,2-3,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
Affinity DataIC50: 210nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
LigandPNGBDBM50399021(CHEMBL2178799 | US8999998, 28)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26)
Affinity DataIC50: 230nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
LigandPNGBDBM50536212(CHEMBL4551061)
Show SMILES CCc1cc(O)ccc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
Show InChI InChI=1S/C17H19N3O3S/c1-3-11-7-13(21)5-6-14(11)12-8-16-15(10-18-19-16)17(9-12)20-24(22,23)4-2/h5-10,20-21H,3-4H2,1-2H3,(H,18,19)
Affinity DataIC50: 316nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM521940(N-[3-(6-methoxy-1H-indazol- 5-yl)-1H-pyrazol-4- yl...)
Show SMILES COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27)
Affinity DataIC50: 370nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536214(CHEMBL4560212)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1
Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,24,25)
Affinity DataIC50: 389nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536215(CHEMBL4569613)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2cn[nH]c2c1
Show InChI InChI=1S/C18H20FN3O4S/c1-3-11-8-18(23)15(19)9-13(11)12-6-16-14(10-20-21-16)17(7-12)22-27(24,25)5-4-26-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
Affinity DataIC50: 398nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50536216(CHEMBL4580425)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC2CCC2)c2cn[nH]c2c1
Show InChI InChI=1S/C20H22FN3O3S/c1-2-13-8-20(25)17(21)9-15(13)14-6-18-16(10-22-23-18)19(7-14)24-28(26,27)11-12-4-3-5-12/h6-10,12,24-25H,2-5,11H2,1H3,(H,22,23)
Affinity DataIC50: 398nMAssay Description:Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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