Compile Data Set for Download or QSAR
Found 14 Enz. Inhib. hit(s) with all data for entry = 50020105
LigandPNGBDBM50118359((2-Chloro-7,7-dioxo-4,7-dihydro-1,7-dithia-4,6-dia...)
Show SMILES CC1(CC1)NC1=Nc2cc(Cl)sc2S(=O)(=O)N1
Show InChI InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13)
Affinity DataEC50:  190nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM86248(CAS_364-98-7 | NSC_3019 | diazoxide)
Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
Affinity DataEC50:  3.10E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as activation of K+ currentsMore data for this Ligand-Target Pair
LigandPNGBDBM50210318(6-chloro-4-hydroxy-2-oxo-N-1,3-thiazol-2-yl-2H-chr...)
Show SMILES Oc1c(C(=O)Nc2nccs2)c(=O)oc2ccc(Cl)cc12
Show InChI InChI=1S/C13H7ClN2O4S/c14-6-1-2-8-7(5-6)10(17)9(12(19)20-8)11(18)16-13-15-3-4-21-13/h1-5,17H,(H,15,16,18)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210319(4-amino-6-methoxy-2-(trifluoromethyl)quinoline-3-c...)
Show SMILES COc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3O/c1-19-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)
Affinity DataEC50:  1.50E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210320(CHEMBL226918 | [(2Z)-4-(4-fluorophenyl)-2-[(4-fluo...)
Show SMILES OCCn1c(cs\c1=N/c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H14F2N2OS/c18-13-3-1-12(2-4-13)16-11-23-17(21(16)9-10-22)20-15-7-5-14(19)6-8-15/h1-8,11,22H,9-10H2/b20-17-
Affinity DataEC50:  2.10E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50118359((2-Chloro-7,7-dioxo-4,7-dihydro-1,7-dithia-4,6-dia...)
Show SMILES CC1(CC1)NC1=Nc2cc(Cl)sc2S(=O)(=O)N1
Show InChI InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13)
Affinity DataEC50:  450nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as activation of K+ currentsMore data for this Ligand-Target Pair
LigandPNGBDBM56470(2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2cccs2)c1=N
Show InChI InChI=1S/C14H13N3OS/c1-16-10-5-2-3-6-11(10)17(14(16)15)9-12(18)13-7-4-8-19-13/h2-8,15H,9H2,1H3
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM86248(CAS_364-98-7 | NSC_3019 | diazoxide)
Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
Affinity DataEC50:  3.30E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50130735((7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1...)
Show SMILES CC(C)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O2S/c1-6(2)12-10-13-8-4-3-7(11)5-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)
Affinity DataEC50:  250nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210322(CHEMBL374743 | N-[1-(2-pyrrolidin-1-ylethyl)-1H-be...)
Show SMILES CC(=O)Nc1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C15H20N4O/c1-12(20)16-15-17-13-6-2-3-7-14(13)19(15)11-10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17,20)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210324(6-phenylpteridin-4(3H)-one | CHEMBL228035)
Show SMILES O=c1[nH]cnc2ncc(nc12)-c1ccccc1
Show InChI InChI=1S/C12H8N4O/c17-12-10-11(14-7-15-12)13-6-9(16-10)8-4-2-1-3-5-8/h1-7H,(H,13,14,15,17)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210323(2-{[(4-chlorophenyl)sulfonyl]amino}benzamide | CHE...)
Show SMILES NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN2O3S/c14-9-5-7-10(8-6-9)20(18,19)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210325(3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carboni...)
Show SMILES O=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H11N3O/c18-11-14-15(12-7-3-1-4-8-12)16(19-20-17(14)21)13-9-5-2-6-10-13/h1-10H,(H,20,21)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair
LigandPNGBDBM50210321(5-methoxy-2-piperidin-1-yl-1H-benzimidazole | CHEM...)
Show SMILES COc1ccc2nc([nH]c2c1)N1CCCCC1
Show InChI InChI=1S/C13H17N3O/c1-17-10-5-6-11-12(9-10)15-13(14-11)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
Affinity DataEC50: >3.00E+4nMAssay Description:Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarizationMore data for this Ligand-Target Pair