Compile Data Set for Download or QSAR
Found 29 Enz. Inhib. hit(s) with all data for entry = 50032605
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331809((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331808((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331824(6-(2-chloro-4,6-difluorophenylamino)-9-fluorobenzo...)
Show SMILES Fc1ccc2c(Nc3c(F)cc(F)cc3Cl)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C18H9ClF3N3O/c19-12-6-9(21)7-13(22)16(12)25-17-10-2-1-8(20)5-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25)
Affinity DataIC50: 4nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331825(6-(2,6-dichlorophenylamino)-9-fluorobenzo[c][1,6]n...)
Show SMILES Fc1ccc2c(Nc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24)
Affinity DataIC50: 14nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331817(6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1...)
Show SMILES CC(Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(C)(C)C
Show InChI InChI=1S/C18H20FN3O/c1-10(18(2,3)4)21-16-12-6-5-11(19)9-13(12)15-14(22-16)7-8-20-17(15)23/h5-10H,1-4H3,(H,20,23)(H,21,22)
Affinity DataIC50: 26nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331829((S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1...)
Show SMILES CC(C)[C@H](C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C17H18FN3O/c1-9(2)10(3)20-16-12-5-4-11(18)8-13(12)15-14(21-16)6-7-19-17(15)22/h4-10H,1-3H3,(H,19,22)(H,20,21)/t10-/m0/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331809((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of JAK2 expressed in human Du-145 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331808((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of JAK2 expressed in human Du-145 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331821(6-(2,6-dichlorobenzylamino)-9-fluorobenzo[c][1,6]n...)
Show SMILES Fc1ccc2c(NCc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25)
Affinity DataIC50: 53nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331831((S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)
Show SMILES CC(C)[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1
Affinity DataIC50: 55nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331827(6-(cyclobutylamino)-9-fluorobenzo[c][1,6]naphthyri...)
Show SMILES Fc1ccc2c(NC3CCC3)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C16H14FN3O/c17-9-4-5-11-12(8-9)14-13(6-7-18-16(14)21)20-15(11)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,18,21)(H,19,20)
Affinity DataIC50: 75nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331828(9-fluoro-6-(isopropylamino)benzo[c][1,6]naphthyrid...)
Show SMILES CC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C15H14FN3O/c1-8(2)18-14-10-4-3-9(16)7-11(10)13-12(19-14)5-6-17-15(13)20/h3-8H,1-2H3,(H,17,20)(H,18,19)
Affinity DataIC50: 139nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331826(9-fluoro-6-((7R)-1,6,6-trimethylbicyclo[3.1.1]hept...)
Show SMILES CC1(C)C2CCCC1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C22H24FN3O/c1-21(2)15-5-4-9-22(21,3)18(15)26-19-13-7-6-12(23)11-14(13)17-16(25-19)8-10-24-20(17)27/h6-8,10-11,15,18H,4-5,9H2,1-3H3,(H,24,27)(H,25,26)/t15?,18-,22?/m1/s1
Affinity DataIC50: 200nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331832(9-fluoro-6-(3-hydroxy-2,2-dimethylpropylamino)benz...)
Show SMILES CC(C)(CO)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C17H18FN3O2/c1-17(2,9-22)8-20-15-11-4-3-10(18)7-12(11)14-13(21-15)5-6-19-16(14)23/h3-7,22H,8-9H2,1-2H3,(H,19,23)(H,20,21)
Affinity DataIC50: 274nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331819(6-[(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylm...)
Show SMILES Fc1ccc2c(NCC3CCS(=O)(=O)C3)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C17H16FN3O3S/c18-11-1-2-12-13(7-11)15-14(3-5-19-17(15)22)21-16(12)20-8-10-4-6-25(23,24)9-10/h1-3,5,7,10H,4,6,8-9H2,(H,19,22)(H,20,21)
Affinity DataIC50: 512nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331822(6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-flu...)
Show SMILES CN1CCC(CC1)N(C1CC1)c1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C21H23FN4O/c1-25-10-7-15(8-11-25)26(14-3-4-14)20-16-5-2-13(22)12-17(16)19-18(24-20)6-9-23-21(19)27/h2,5-6,9,12,14-15H,3-4,7-8,10-11H2,1H3,(H,23,27)
Affinity DataIC50: 540nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331814(2-(3,3-dimethylbutan-2-ylamino)-3-(pyridin-2-yl)-1...)
Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C
Show InChI InChI=1S/C19H22N4O/c1-12(19(2,3)4)22-17-13(15-7-5-6-9-20-15)11-14-16(23-17)8-10-21-18(14)24/h5-12H,1-4H3,(H,21,24)(H,22,23)
Affinity DataIC50: 630nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331830(6-(3,3-difluorocyclobutylamino)-9-fluorobenzo[c][1...)
Show SMILES Fc1ccc2c(NC3CC(F)(F)C3)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C16H12F3N3O/c17-8-1-2-10-11(5-8)13-12(3-4-20-15(13)23)22-14(10)21-9-6-16(18,19)7-9/h1-5,9H,6-7H2,(H,20,23)(H,21,22)
Affinity DataIC50: 750nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331820(9-fluoro-6-(pyridin-2-ylmethylamino)benzo[c][1,6]n...)
Show SMILES Fc1ccc2c(NCc3ccccn3)nc3cc[nH]c(=O)c3c2c1
Show InChI InChI=1S/C18H13FN4O/c19-11-4-5-13-14(9-11)16-15(6-8-21-18(16)24)23-17(13)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,21,24)(H,22,23)
Affinity DataIC50: 1.12E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331810(3-phenyl-2-(pyridin-4-ylmethylamino)-1,6-naphthyri...)
Show SMILES O=c1[nH]ccc2nc(NCc3ccncc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-20-17-12-16(15-4-2-1-3-5-15)19(24-18(17)8-11-22-20)23-13-14-6-9-21-10-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331809((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
Affinity DataIC50: 1.40E+3nMAssay Description:Binding affinity to human ERG expressed in HEK cells by radioligand displacement assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331818(6-(3-amino-2,2-dimethylpropylamino)-9-fluorobenzo[...)
Show SMILES CC(C)(CN)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
Show InChI InChI=1S/C17H19FN4O/c1-17(2,8-19)9-21-15-11-4-3-10(18)7-12(11)14-13(22-15)5-6-20-16(14)23/h3-7H,8-9,19H2,1-2H3,(H,20,23)(H,21,22)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331808((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
Affinity DataIC50: 3.50E+3nMAssay Description:Binding affinity to human ERG expressed in HEK cells by radioligand displacement assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331813(2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4...)
Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl
Show InChI InChI=1S/C22H15Cl2F2N3O/c1-11(14-9-19(26)18(24)10-17(14)23)28-21-15(12-2-4-13(25)5-3-12)8-16-20(29-21)6-7-27-22(16)30/h2-11H,1H3,(H,27,30)(H,28,29)
Affinity DataIC50: 3.94E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331823(9-fluoro-6-(3-fluorophenylamino)benzo[c][1,6]napht...)
Show SMILES Fc1cccc(Nc2nc3cc[nH]c(=O)c3c3cc(F)ccc23)c1
Show InChI InChI=1S/C18H11F2N3O/c19-10-2-1-3-12(8-10)22-17-13-5-4-11(20)9-14(13)16-15(23-17)6-7-21-18(16)24/h1-9H,(H,21,24)(H,22,23)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331816(CHEMBL1290308 | N-(2-(dimethylamino)ethyl)-2-(3,3-...)
Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C
Show InChI InChI=1S/C19H29N5O2/c1-12(19(2,3)4)22-16-14(18(26)21-9-10-24(5)6)11-13-15(23-16)7-8-20-17(13)25/h7-8,11-12H,9-10H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)
Affinity DataIC50: 8.35E+3nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331815(2-(3,3-dimethylbutan-2-ylamino)-3-(3-phenyl-1,2,4-...)
Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1nc(no1)-c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C22H23N5O2/c1-13(22(2,3)4)24-19-16(12-15-17(25-19)10-11-23-20(15)28)21-26-18(27-29-21)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,28)(H,24,25)
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331812(2-(3,3-difluoropyrrolidin-1-yl)-3-(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)-c1cc2c(cc[nH]c2=O)nc1N1CCC(F)(F)C1
Show InChI InChI=1S/C18H14F3N3O/c19-12-3-1-11(2-4-12)13-9-14-15(5-7-22-17(14)25)23-16(13)24-8-6-18(20,21)10-24/h1-5,7,9H,6,8,10H2,(H,22,25)
Affinity DataIC50: 1.18E+4nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50331811(3-(4-fluorophenyl)-2-(neopentylamino)-1,6-naphthyr...)
Show SMILES CC(C)(C)CNc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O/c1-19(2,3)11-22-17-14(12-4-6-13(20)7-5-12)10-15-16(23-17)8-9-21-18(15)24/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of JAK2 in cell-free systemMore data for this Ligand-Target Pair