Compile Data Set for Download or QSAR
Found 19 Enz. Inhib. hit(s) with all data for entry = 2824
LigandPNGBDBM25052(3-{6-bromoimidazo[1,2-a]pyridin-3-yl}-1-[(2-methyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnc2ccc(Br)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H12BrN5O4S/c1-11-2-4-13(23(24)25)8-16(11)28(26,27)22-7-6-14(20-22)15-9-19-17-5-3-12(18)10-21(15)17/h2-10H,1H3
Affinity DataIC50: 1.80nMpH: 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
LigandPNGBDBM25050(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14ClN5O4S/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: 2.80nMpH: 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
LigandPNGBDBM25056(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
Affinity DataIC50: 2.80nMpH: 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
LigandPNGBDBM25057(imidazo[1,2-a]pyridine derivative, 14b | {2-[(4-{6...)
Show SMILES OCc1ccc(cc1S(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c18-11-2-4-16-19-6-14(21(16)7-11)13-9-27-17(20-13)28(26)15-5-12(22(24)25)3-1-10(15)8-23/h1-7,9,23H,8H2
Affinity DataIC50: 20nMpH: 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
LigandPNGBDBM25055(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O3S2/c1-10-2-4-12(22(23)24)6-15(10)27(25)17-20-13(9-26-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
Affinity DataIC50: 31nMpH: 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
LigandPNGBDBM25054(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1Sc1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O2S2/c1-10-2-4-12(22(23)24)6-15(10)26-17-20-13(9-25-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
Affinity DataIC50: 82nMpH: 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
LigandPNGBDBM25056(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
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
LigandPNGBDBM25053(3-{6-chloroimidazo[1,2-a]pyridin-3-yl}-1-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(c1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN4O4S/c1-12-2-4-15(23(24)25)8-17(12)28(26,27)21-7-6-13(10-21)16-9-20-18-5-3-14(19)11-22(16)18/h2-11H,1H3
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
Ligand InfoPC cidPC sid
LigandPNGBDBM25056(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
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
LigandPNGBDBM25056(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
Affinity DataIC50: 230nMpH: 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
LigandPNGBDBM25049(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)5-6-16(21)19-11)15-7-8-22(20-15)28(26,27)14-4-2-3-13(9-14)23(24)25/h2-10H,1H3
Affinity DataIC50: 280nMpH: 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
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
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
LigandPNGBDBM25047(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H12ClFN4O2S/c1-11-17(22-10-12(18)2-7-16(22)20-11)15-8-9-23(21-15)26(24,25)14-5-3-13(19)4-6-14/h2-10H,1H3
Affinity DataIC50: 760nMpH: 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
LigandPNGBDBM25048(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)2-7-16(21)19-11)15-8-9-22(20-15)28(26,27)14-5-3-13(4-6-14)23(24)25/h2-10H,1H3
Affinity DataIC50: 3.00E+4nMpH: 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