Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50012598
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.220nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.220nMAssay Description:Inhibition of DYRK1A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.280nMAssay Description:Inhibition of DYRK1B (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.280nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 0.360nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 0.360nMAssay Description:Inhibition of DYRK1A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 0.590nMAssay Description:Inhibition of DYRK1B (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 0.590nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434352(CHEMBL2386748 | US9446044, 78)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1
Show InChI InChI=1S/C17H11F2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.940nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434364(CHEMBL2386764 | US9446044, 65)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1
Show InChI InChI=1S/C18H15N5OS/c1-10-3-5-11(6-4-10)22-17-14-12(20-9-21-17)7-8-13-15(14)25-18(23-13)16(19)24-2/h3-9,19H,1-2H3,(H,20,21,22)
Affinity DataIC50: 0.980nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246384(US9446044, 71)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)c3c2s1
Show InChI InChI=1S/C17H11ClFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 0.990nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434352(CHEMBL2386748 | US9446044, 78)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1
Show InChI InChI=1S/C17H11F2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246384(US9446044, 71)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)c3c2s1
Show InChI InChI=1S/C17H11ClFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434364(CHEMBL2386764 | US9446044, 65)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1
Show InChI InChI=1S/C18H15N5OS/c1-10-3-5-11(6-4-10)22-17-14-12(20-9-21-17)7-8-13-15(14)25-18(23-13)16(19)24-2/h3-9,19H,1-2H3,(H,20,21,22)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of DYRK2 (unknown origin)More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 7.40nMAssay Description:Inhibition of GSK3A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50347750(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
Affinity DataIC50: 7.60nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of GSK3A (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 11nMAssay Description:Inhibition of DYRK2 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 11nMAssay Description:Inhibition of CLK1 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 21nMAssay Description:Inhibition of DYRK3 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM100152(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
Affinity DataIC50: 22nMAssay Description:Inhibition of human DYRK1A using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 23nMAssay Description:Inhibition of CLK1 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 32nMAssay Description:Inhibition of CLK4 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 33nMAssay Description:Inhibition of CLK2 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50347750(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
Affinity DataIC50: 37nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM100152(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
Affinity DataIC50: 57nMAssay Description:Inhibition of human DYRK1B using [33P]-ATP incubated for 120 minsMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 59nMAssay Description:Inhibition of CLK4 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 89nMAssay Description:Inhibition of CLK2 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 93nMAssay Description:Inhibition of DYRK3 (unknown origin)More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 143nMAssay Description:Inhibition of GSK3B (unknown origin)More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 221nMAssay Description:Inhibition of GSK3B (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of CLK3 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 4(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataIC50: 1.57E+3nMAssay Description:Inhibition of DYRK4 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434353(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CLK3 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM246383(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
Affinity DataKd:  7.30nMAssay Description:Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant at 3 uM by ITC assayMore data for this Ligand-Target Pair