Compile Data Set for Download or QSAR
Found 30 Enz. Inhib. hit(s) with all data for entry = 2823
LigandPNGBDBM25041(N'-[(1E)-{6-cyanoimidazo[1,2-a]pyridin-3-yl}methyl...)
Show SMILES CN(\N=C\c1cnc2ccc(cn12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-5-14(23(24)25)7-16(12)28(26,27)21(2)20-10-15-9-19-17-6-4-13(8-18)11-22(15)17/h3-7,9-11H,1-2H3/b20-10+
Affinity DataIC50: 0.260nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25036(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 0.300nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25037(N'-[(1E)-{6-chloroimidazo[1,2-a]pyridin-3-yl}methy...)
Show SMILES CN(\N=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14ClN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 0.770nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25018(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
Affinity DataIC50: 2.5nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Affinity DataIC50: 3nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25030(3-{6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[...)
Show SMILES Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14BrN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
Affinity DataIC50: 3.10nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Affinity DataIC50: 3.60nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25038(N'-[(1E)-{6-fluoroimidazo[1,2-a]pyridin-3-yl}methy...)
Show SMILES CN(\N=C\c1cnc2ccc(F)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14FN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 5.30nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25040(N,2-dimethyl-N'-[(1E)-{6-methylimidazo[1,2-a]pyrid...)
Show SMILES CN(\N=C\c1cnc2ccc(C)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H17N5O4S/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2/h4-11H,1-3H3/b19-10+
Affinity DataIC50: 6nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Affinity DataIC50: 10nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25039(N,2-dimethyl-5-nitro-N'-[(1E)-[6-(trifluoromethyl)...)
Show SMILES CN(\N=C\c1cnc2ccc(cn12)C(F)(F)F)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14F3N5O4S/c1-11-3-5-13(25(26)27)7-15(11)30(28,29)23(2)22-9-14-8-21-16-6-4-12(10-24(14)16)17(18,19)20/h3-10H,1-2H3/b22-9+
Affinity DataIC50: 14nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25018(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
Affinity DataIC50: 16nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25032(N'-[(1E)-1-{6-bromoimidazo[1,2-a]pyridin-3-yl}ethy...)
Show SMILES CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnc2ccc(Br)cn12
Show InChI InChI=1S/C16H14BrN5O4S/c1-10-3-5-13(22(23)24)7-15(10)27(25,26)20-19-11(2)14-8-18-16-6-4-12(17)9-21(14)16/h3-9,20H,1-2H3
Affinity DataIC50: 17nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25033(N'-[(1E)-{6-bromoimidazo[1,2-a]pyridin-3-yl}methyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)NN=Cc1cnc2ccc(Br)cn12)[N+]([O-])=O
Show InChI InChI=1S/C15H12BrN5O4S/c1-10-2-4-12(21(22)23)6-14(10)26(24,25)19-18-8-13-7-17-15-5-3-11(16)9-20(13)15/h2-9,19H,1H3
Affinity DataIC50: 21nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25036(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 40nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25035(N'-[(1E)-1-{6-bromoimidazo[1,2-a]pyridin-3-yl}ethy...)
Show SMILES CN(N=C(C)c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H16BrN5O4S/c1-11-4-6-14(23(24)25)8-16(11)28(26,27)21(3)20-12(2)15-9-19-17-7-5-13(18)10-22(15)17/h4-10H,1-3H3
Affinity DataIC50: 81nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25036(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 100nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25034(N'-[(1E)-1-{6-bromo-2-methylimidazo[1,2-a]pyridin-...)
Show SMILES CN(N=C(C)c1c(C)nc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN5O4S/c1-11-5-7-15(24(25)26)9-16(11)29(27,28)22(4)21-13(3)18-12(2)20-17-8-6-14(19)10-23(17)18/h5-10H,1-4H3
Affinity DataIC50: 170nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25018(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
Affinity DataIC50: 220nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25045(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
Affinity DataIC50: 250nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25042(ethyl 3-[(1E)-{[methyl(2-methyl-5-nitrobenzene)sul...)
Show SMILES CCOC(=O)c1ccc2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)n2c1
Show InChI InChI=1S/C19H19N5O6S/c1-4-30-19(25)14-6-8-18-20-10-16(23(18)12-14)11-21-22(3)31(28,29)17-9-15(24(26)27)7-5-13(17)2/h5-12H,4H2,1-3H3/b21-11+
Affinity DataIC50: 340nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Affinity DataIC50: 340nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25031(N'-[(1E)-1-{6-bromo-2-methylimidazo[1,2-a]pyridin-...)
Show SMILES CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1c(C)nc2ccc(Br)cn12
Show InChI InChI=1S/C17H16BrN5O4S/c1-10-4-6-14(23(24)25)8-15(10)28(26,27)21-20-12(3)17-11(2)19-16-7-5-13(18)9-22(16)17/h4-9,21H,1-3H3
Affinity DataIC50: 400nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Affinity DataIC50: 630nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25018(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
Affinity DataIC50: 660nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25029(1-[(4-fluorobenzene)sulfonyl]-3-{2-methylimidazo[1...)
Show SMILES Cc1nc2ccccn2c1-c1ccn(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN4O2S/c1-12-17(21-10-3-2-4-16(21)19-12)15-9-11-22(20-15)25(23,24)14-7-5-13(18)6-8-14/h2-11H,1H3
Affinity DataIC50: 670nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25043(3-[(1E)-{[methyl(2-methyl-5-nitrobenzene)sulfonami...)
Show SMILES CN(\N=C\c1cnc2ccc(cn12)C(N)=O)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H16N6O5S/c1-11-3-5-13(23(25)26)7-15(11)29(27,28)21(2)20-9-14-8-19-16-6-4-12(17(18)24)10-22(14)16/h3-10H,1-2H3,(H2,18,24)/b20-9+
Affinity DataIC50: 780nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM25036(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Affinity DataIC50: 850nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Affinity DataIC50: 1.60E+3nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair
LigandPNGBDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Affinity DataIC50: 2.10E+3nMpH: 7.4 T: 2°CAssay Description:The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...More data for this Ligand-Target Pair