Compile Data Set for Download or QSAR
Found 423 Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TNNI3K'
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578225(CHEMBL4869303)
Show SMILES CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1
Show InChI InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
Affinity DataKi:  0.540nMAssay Description:Binding affinity to full length human His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase TNNI3K(Mus musculus)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578225(CHEMBL4869303)
Show SMILES CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1
Show InChI InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
Affinity DataKi:  13nMAssay Description:Binding affinity to full length mouse His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118382(CHEMBL3613198)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)21-15-13-10(16)7-18-14(13)19-8-20-15/h4-8,17H,1-3H3,(H2,18,19,20,21)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118381(CHEMBL3613197)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118384(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 6.30nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118383(CHEMBL3613199)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C18H22N6O3S/c1-12-10-20-17-16(12)18(22-11-21-17)23-14-9-13(28(25,26)19-2)3-4-15(14)24-5-7-27-8-6-24/h3-4,9-11,19H,5-8H2,1-2H3,(H2,20,21,22,23)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578223(CHEMBL4868757)
Show SMILES CNc1cc(Oc2c(C)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2C)ncn1
Show InChI InChI=1S/C21H20F3N5O2/c1-12-7-16(8-13(2)19(12)31-18-10-17(25-3)26-11-27-18)29-20(30)28-15-6-4-5-14(9-15)21(22,23)24/h4-11H,1-3H3,(H,25,26,27)(H2,28,29,30)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of human myc-TNNI3K expressed in HEK-MSR2 cells assessed as reduction in TNNI3K autophosphorylation preincubated for 30 mins followed by p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50245254(CHEMBL4094739)
Show SMILES CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC
Show InChI InChI=1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25)
Affinity DataIC50: 8nMAssay Description:Inhibition of mammalian ribonucleotide reductaseMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50245254(CHEMBL4094739)
Show SMILES CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC
Show InChI InChI=1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25)
Affinity DataIC50: 8nMAssay Description:Inhibition of human myc-TNNI3K expressed in HEK-MSR2 cells assessed as reduction in TNNI3K autophosphorylation preincubated for 30 mins followed by p...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178343(CHEMBL3814097)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)c(OC)c(OC)c23)c1
Show InChI InChI=1S/C20H21F3N4O6S/c1-24-34(28,29)11-5-6-14(33-9-20(21,22)23)12(7-11)27-19-16-13(25-10-26-19)8-15(30-2)17(31-3)18(16)32-4/h5-8,10,24H,9H2,1-4H3,(H,25,26,27)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178342(CHEMBL3813948)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H19F3N4O5S/c1-23-32(27,28)12-4-5-15(31-9-19(20,21)22)13(8-12)26-18-17-14(24-10-25-18)6-11(29-2)7-16(17)30-3/h4-8,10,23H,9H2,1-3H3,(H,24,25,26)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178340(CHEMBL3814834)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)13-6-7-16(24(2)3)14(10-13)23-19-18-15(21-11-22-19)8-12(27-4)9-17(18)28-5/h6-11,20H,1-5H3,(H,21,22,23)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178313(CHEMBL3814871)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
Show InChI InChI=1S/C21H27N5O4S/c1-22-31(27,28)16-7-9-20(26(2)3)19(13-16)25-21-17-8-6-15(30-11-5-10-29-4)12-18(17)23-14-24-21/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,23,24,25)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178340(CHEMBL3814834)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)13-6-7-16(24(2)3)14(10-13)23-19-18-15(21-11-22-19)8-12(27-4)9-17(18)28-5/h6-11,20H,1-5H3,(H,21,22,23)
Affinity DataIC50: 10nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578225(CHEMBL4869303)
Show SMILES CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1
Show InChI InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
Affinity DataIC50: 10nMAssay Description:Inhibition of TNNI3K (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118384(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118381(CHEMBL3613197)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178340(CHEMBL3814834)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H23N5O4S/c1-20-29(25,26)13-6-7-16(24(2)3)14(10-13)23-19-18-15(21-11-22-19)8-12(27-4)9-17(18)28-5/h6-11,20H,1-5H3,(H,21,22,23)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578209(CHEMBL4867760)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3cc(Nc4cccc(CN5CCCC5)c4)ncn3)cc2)c1
Show InChI InChI=1S/C29H27F3N6O2/c30-29(31,32)21-6-4-8-24(16-21)37-28(39)36-22-9-11-25(12-10-22)40-27-17-26(33-19-34-27)35-23-7-3-5-20(15-23)18-38-13-1-2-14-38/h3-12,15-17,19H,1-2,13-14,18H2,(H,33,34,35)(H2,36,37,39)
Affinity DataIC50: 10nMAssay Description:Inhibition of TNNI3K (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578208(CHEMBL4875220)
Show SMILES OC(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)ncn2)c1
Show InChI InChI=1S/C26H20F3N5O4/c27-26(28,29)17-4-2-6-20(13-17)34-25(37)33-18-7-9-21(10-8-18)38-23-14-22(30-15-31-23)32-19-5-1-3-16(11-19)12-24(35)36/h1-11,13-15H,12H2,(H,35,36)(H,30,31,32)(H2,33,34,37)
Affinity DataIC50: 10nMAssay Description:Inhibition of TNNI3K (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118382(CHEMBL3613198)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)21-15-13-10(16)7-18-14(13)19-8-20-15/h4-8,17H,1-3H3,(H2,18,19,20,21)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118381(CHEMBL3613197)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118384(CHEMBL3613305)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Br)c23)c1
Show InChI InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197743(CHEMBL3911058)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc(Nc3ccc(Cl)cc3)n2)c1
Show InChI InChI=1S/C18H20ClN7O2S/c1-20-29(27,28)14-8-9-16(26(2)3)15(10-14)24-18-22-11-21-17(25-18)23-13-6-4-12(19)5-7-13/h4-11,20H,1-3H3,(H2,21,22,23,24,25)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178344(CHEMBL3814798)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(Cl)c23)c1
Show InChI InChI=1S/C17H19ClN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197727(CHEMBL3895839)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(-c4ccco4)c23)c1
Show InChI InChI=1S/C19H20N6O3S/c1-20-29(26,27)12-6-7-15(25(2)3)14(9-12)24-19-17-13(16-5-4-8-28-16)10-21-18(17)22-11-23-19/h4-11,20H,1-3H3,(H2,21,22,23,24)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197725(CHEMBL3984331)
Show SMILES CNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C16H17F3N6O2S/c1-20-28(26,27)10-3-4-13(25(2)8-16(17,18)19)12(7-10)24-15-11-5-6-21-14(11)22-9-23-15/h3-7,9,20H,8H2,1-2H3,(H2,21,22,23,24)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118388(CHEMBL3613309)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O3S/c1-28-37(34,35)17-5-6-21(33-7-9-36-10-8-33)20(12-17)32-23-18-13-19(31-22(18)29-14-30-23)15-3-2-4-16(11-15)24(25,26)27/h2-6,11-14,28H,7-10H2,1H3,(H2,29,30,31,32)
Affinity DataIC50: 10nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178339(CHEMBL3814923)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
Show InChI InChI=1S/C24H32N6O4S/c1-25-35(31,32)19-6-8-23(29(2)3)22(16-19)28-24-20-7-5-18(15-21(20)26-17-27-24)34-12-4-9-30-10-13-33-14-11-30/h5-8,15-17,25H,4,9-14H2,1-3H3,(H,26,27,28)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197716(CHEMBL3925896)
Show SMILES CNS(=O)(=O)c1ccc(N2CCCC(F)(F)C2)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C18H20F2N6O2S/c1-21-29(27,28)12-3-4-15(26-8-2-6-18(19,20)10-26)14(9-12)25-17-13-5-7-22-16(13)23-11-24-17/h3-5,7,9,11,21H,2,6,8,10H2,1H3,(H2,22,23,24,25)
Affinity DataIC50: 10nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118429(CHEMBL3613185)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccccc2C)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-6-3-4-9-16(13)18-11-17-19(22-12-23-20(17)25-18)24-14-7-5-8-15(10-14)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118386(CHEMBL3613307)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178342(CHEMBL3813948)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
Show InChI InChI=1S/C19H19F3N4O5S/c1-23-32(27,28)12-4-5-15(31-9-19(20,21)22)13(8-12)26-18-17-14(24-10-25-18)6-11(29-2)7-16(17)30-3/h4-8,10,23H,9H2,1-3H3,(H,24,25,26)
Affinity DataIC50: 13nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50245253(CHEMBL4074231)
Show SMILES CNS(=O)(=O)c1ccc(c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H17ClN6O4S2/c1-19-30(27,28)12-4-5-14(29(2,25)26)13(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10,19H,1-2H3,(H2,20,21,22,23,24)
Affinity DataIC50: 13nMAssay Description:Inhibition of mammalian ribonucleotide reductaseMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118467(CHEMBL3613189)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C19H17N5O3S/c1-20-28(26,27)15-4-2-3-13(9-15)23-18-16-10-17(24-19(16)22-11-21-18)12-5-7-14(25)8-6-12/h2-11,20,25H,1H3,(H2,21,22,23,24)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178306(CHEMBL3814998)
Show SMILES CCOc1cc2ncnc(Nc3cc(ccc3OCC(F)(F)F)S(=O)(=O)NC)c2cc1OC
Show InChI InChI=1S/C20H21F3N4O5S/c1-4-31-18-9-14-13(8-17(18)30-3)19(26-11-25-14)27-15-7-12(33(28,29)24-2)5-6-16(15)32-10-20(21,22)23/h5-9,11,24H,4,10H2,1-3H3,(H,25,26,27)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118383(CHEMBL3613199)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C18H22N6O3S/c1-12-10-20-17-16(12)18(22-11-21-17)23-14-9-13(28(25,26)19-2)3-4-15(14)24-5-7-27-8-6-24/h3-4,9-11,19H,5-8H2,1-2H3,(H2,20,21,22,23)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197808(CHEMBL3952704)
Show SMILES CNS(=O)(=O)c1ccc(N2CCCCC2)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C18H22N6O2S/c1-19-27(25,26)13-5-6-16(24-9-3-2-4-10-24)15(11-13)23-18-14-7-8-20-17(14)21-12-22-18/h5-8,11-12,19H,2-4,9-10H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118464(CHEMBL3613186)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2cccc(C)c2)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-5-3-6-14(9-13)18-11-17-19(22-12-23-20(17)25-18)24-15-7-4-8-16(10-15)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178309(CHEMBL3813957)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
Show InChI InChI=1S/C24H28F3N5O5S/c1-28-38(33,34)18-4-6-22(37-15-24(25,26)27)21(14-18)31-23-19-5-3-17(13-20(19)29-16-30-23)36-10-2-7-32-8-11-35-12-9-32/h3-6,13-14,16,28H,2,7-12,15H2,1H3,(H,29,30,31)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118465(CHEMBL3613187)
Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(cc23)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C20H19N5O2S/c1-13-6-8-14(9-7-13)18-11-17-19(22-12-23-20(17)25-18)24-15-4-3-5-16(10-15)28(26,27)21-2/h3-12,21H,1-2H3,(H2,22,23,24,25)
Affinity DataIC50: 13nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118386(CHEMBL3613307)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)
Affinity DataIC50: 16nMAssay Description:Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50245317(CHEMBL4102182)
Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(cn3)C(F)(F)F)ncn2)c1
Show InChI InChI=1S/C17H15F3N6O2S/c1-21-29(27,28)13-4-2-3-12(7-13)25-15-8-16(24-10-23-15)26-14-6-5-11(9-22-14)17(18,19)20/h2-10,21H,1H3,(H2,22,23,24,25,26)
Affinity DataIC50: 16nMAssay Description:Inhibition of mammalian ribonucleotide reductaseMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197730(CHEMBL3913963)
Show SMILES CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C15H14F3N5O3S/c1-19-27(24,25)9-2-3-12(26-7-15(16,17)18)11(6-9)23-14-10-4-5-20-13(10)21-8-22-14/h2-6,8,19H,7H2,1H3,(H2,20,21,22,23)
Affinity DataIC50: 16nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50197714(CHEMBL3920011)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cnc23)c1
Show InChI InChI=1S/C14H17N7O2S/c1-15-24(22,23)9-4-5-11(21(2)3)10(6-9)20-14-12-13(17-7-16-12)18-8-19-14/h4-8,15H,1-3H3,(H2,16,17,18,19,20)
Affinity DataIC50: 16nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50578194(CHEMBL4849349)
Show SMILES Nc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H14F3N5O2/c19-18(20,21)11-2-1-3-13(8-11)26-17(27)25-12-4-6-14(7-5-12)28-16-9-15(22)23-10-24-16/h1-10H,(H2,22,23,24)(H2,25,26,27)
Affinity DataIC50: 16nMAssay Description:Inhibition of human myc-TNNI3K expressed in HEK-MSR2 cells assessed as reduction in TNNI3K autophosphorylation preincubated for 30 mins followed by p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM68211(Type II inhibitor, 5)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)
Affinity DataIC50: 16nMAssay Description:Inhibition of TNNI3K (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50178311(CHEMBL3814010)
Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccn(C)c23)c1
Show InChI InChI=1S/C16H20N6O2S/c1-17-25(23,24)11-5-6-14(21(2)3)13(9-11)20-16-15-12(18-10-19-16)7-8-22(15)4/h5-10,17H,1-4H3,(H,18,19,20)
Affinity DataIC50: 16nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50118388(CHEMBL3613309)
Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O3S/c1-28-37(34,35)17-5-6-21(33-7-9-36-10-8-33)20(12-17)32-23-18-13-19(31-22(18)29-14-30-23)15-3-2-4-16(11-15)24(25,26)27/h2-6,11-14,28H,7-10H2,1H3,(H2,29,30,31,32)
Affinity DataIC50: 16nMAssay Description:Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50245260(CHEMBL4061645)
Show SMILES CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1
Show InChI InChI=1S/C16H15ClN6O2S/c1-18-26(24,25)13-4-2-3-12(7-13)22-15-8-16(21-10-20-15)23-14-6-5-11(17)9-19-14/h2-10,18H,1H3,(H2,19,20,21,22,23)
Affinity DataIC50: 20nMAssay Description:Inhibition of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3...More data for this Ligand-Target Pair
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