Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 50029194
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50013027(CHEMBL262655 | Sodium; 3-[4-(4-chloro-benzenesulfo...)
Show SMILES CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H26ClNO5S2/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30)/p-1
Affinity DataIC50: 0.900nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282138(CHEMBL298462 | Sodium; 3-[4-(4-chloro-phenylsulfam...)
Show SMILES CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H26ClNO5S2/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-31(26,27)25-20-10-8-19(24)9-11-20/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30)/p-1
Affinity DataIC50: 220nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282135(CHEMBL430569 | Sodium; 3-[3-(4-chloro-phenylsulfam...)
Show SMILES CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C22H24ClNO5S2/c1-15(2)16-5-11-20-17(14-22(31(27,28)29)21(20)12-6-16)4-3-13-30(25,26)24-19-9-7-18(23)8-10-19/h5-12,14-15,24H,3-4,13H2,1-2H3,(H,27,28,29)/p-1
Affinity DataIC50: 860nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282141(CHEMBL46338 | Sodium; 3-[5-(4-chloro-phenylsulfamo...)
Show SMILES CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C24H28ClNO5S2/c1-17(2)18-7-13-22-19(16-24(33(29,30)31)23(22)14-8-18)6-4-3-5-15-32(27,28)26-21-11-9-20(25)10-12-21/h7-14,16-17,26H,3-6,15H2,1-2H3,(H,29,30,31)/p-1
Affinity DataIC50: 860nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282152(CHEMBL47605 | Sodium; 6-isopropyl-3-(5-phenylsulfa...)
Show SMILES CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C24H29NO5S2/c1-18(2)19-12-14-22-20(17-24(32(28,29)30)23(22)15-13-19)9-5-4-8-16-31(26,27)25-21-10-6-3-7-11-21/h3,6-7,10-15,17-18,25H,4-5,8-9,16H2,1-2H3,(H,28,29,30)/p-1
Affinity DataIC50: 1.40E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50002765(BM 13177 | BM-13177 | CHEMBL8273 | Sulotroban | [4...)
Show SMILES OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
Affinity DataIC50: 1.50E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282146(CHEMBL48013 | Sodium; 6-isopropyl-3-(4-phenylsulfa...)
Show SMILES CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H27NO5S2/c1-17(2)18-11-13-21-19(16-23(31(27,28)29)22(21)14-12-18)8-6-7-15-30(25,26)24-20-9-4-3-5-10-20/h3-5,9-14,16-17,24H,6-8,15H2,1-2H3,(H,27,28,29)/p-1
Affinity DataIC50: 1.50E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282136(6-Isopropyl-3-(5-phenylsulfamoyl-pentyl)-azulene-1...)
Show SMILES CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C25H29NO4S/c1-18(2)19-12-14-22-20(17-24(25(27)28)23(22)15-13-19)9-5-4-8-16-31(29,30)26-21-10-6-3-7-11-21/h3,6-7,10-15,17-18,26H,4-5,8-9,16H2,1-2H3,(H,27,28)
Affinity DataIC50: 1.50E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282156(3-[5-(4-Chloro-phenylsulfamoyl)-pentyl]-6-isopropy...)
Show SMILES CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C25H28ClNO4S/c1-17(2)18-7-13-22-19(16-24(25(28)29)23(22)14-8-18)6-4-3-5-15-32(30,31)27-21-11-9-20(26)10-12-21/h7-14,16-17,27H,3-6,15H2,1-2H3,(H,28,29)
Affinity DataIC50: 1.70E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282139(3-[4-(4-Chloro-phenylsulfamoyl)-butyl]-6-isopropyl...)
Show SMILES CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H26ClNO4S/c1-16(2)17-6-12-21-18(15-23(24(27)28)22(21)13-7-17)5-3-4-14-31(29,30)26-20-10-8-19(25)9-11-20/h6-13,15-16,26H,3-5,14H2,1-2H3,(H,27,28)
Affinity DataIC50: 2.60E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282133(CHEMBL47510 | Sodium; 6-isopropyl-3-(3-phenylsulfa...)
Show SMILES CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C22H25NO5S2/c1-16(2)17-10-12-20-18(15-22(30(26,27)28)21(20)13-11-17)7-6-14-29(24,25)23-19-8-4-3-5-9-19/h3-5,8-13,15-16,23H,6-7,14H2,1-2H3,(H,26,27,28)/p-1
Affinity DataIC50: 8.70E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282154(6-Isopropyl-3-(4-phenylsulfamoyl-butyl)-azulene-1-...)
Show SMILES CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H27NO4S/c1-17(2)18-11-13-21-19(16-23(24(26)27)22(21)14-12-18)8-6-7-15-30(28,29)25-20-9-4-3-5-10-20/h3-5,9-14,16-17,25H,6-8,15H2,1-2H3,(H,26,27)
Affinity DataIC50: 8.70E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282147(3-[3-(4-Chloro-phenylsulfamoyl)-propyl]-6-isopropy...)
Show SMILES CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C23H24ClNO4S/c1-15(2)16-5-11-20-17(14-22(23(26)27)21(20)12-6-16)4-3-13-30(28,29)25-19-9-7-18(24)8-10-19/h5-12,14-15,25H,3-4,13H2,1-2H3,(H,26,27)
Affinity DataIC50: 9.10E+3nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282134(6-Isopropyl-3-(3-phenylsulfamoyl-propyl)-azulene-1...)
Show SMILES CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)17-10-12-20-18(15-22(23(25)26)21(20)13-11-17)7-6-14-29(27,28)24-19-8-4-3-5-9-19/h3-5,8-13,15-16,24H,6-7,14H2,1-2H3,(H,25,26)
Affinity DataIC50: 1.20E+4nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282144(3-[4-(4-Chloro-benzenesulfonylamino)-4-oxo-butyl]-...)
Show SMILES CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H24ClNO5S/c1-15(2)16-6-12-20-17(14-22(24(28)29)21(20)13-7-16)4-3-5-23(27)26-32(30,31)19-10-8-18(25)9-11-19/h6-15H,3-5H2,1-2H3,(H,26,27)(H,28,29)
Affinity DataIC50: 1.90E+4nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282148(CHEMBL297989 | Sodium; 3-[4-(4-chloro-benzenesulfo...)
Show SMILES CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H24ClNO6S2/c1-15(2)16-6-12-20-17(14-22(33(29,30)31)21(20)13-7-16)4-3-5-23(26)25-32(27,28)19-10-8-18(24)9-11-19/h6-15H,3-5H2,1-2H3,(H,25,26)(H,29,30,31)/p-1
Affinity DataIC50: 5.40E+4nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282140(CHEMBL45623 | Sodium; 3-(4-benzenesulfonylamino-4-...)
Show SMILES CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H25NO6S2/c1-16(2)17-11-13-20-18(15-22(32(28,29)30)21(20)14-12-17)7-6-10-23(25)24-31(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-16H,6-7,10H2,1-2H3,(H,24,25)(H,28,29,30)/p-1
Affinity DataIC50: 6.50E+4nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282151(CHEMBL297315 | Semicarbazone Derivative)
Show SMILES CC(C)c1ccc2c(CCCC=NNC(=O)Nc3ccccc3)cc(C([O-])=O)c2cc1
Show InChI InChI=1S/C25H27N3O3/c1-17(2)18-11-13-21-19(16-23(24(29)30)22(21)14-12-18)8-6-7-15-26-28-25(31)27-20-9-4-3-5-10-20/h3-5,9-17H,6-8H2,1-2H3,(H,29,30)(H2,27,28,31)/p-1
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282150(CHEMBL296652 | Thiosemicarbazone Derivative)
Show SMILES CC(C)c1ccc2c(CCCC=NNC(=S)Nc3ccc(Cl)cc3)cc(C([O-])=O)c2cc1
Show InChI InChI=1S/C25H26ClN3O2S/c1-16(2)17-6-12-21-18(15-23(24(30)31)22(21)13-7-17)5-3-4-14-27-29-25(32)28-20-10-8-19(26)9-11-20/h6-16H,3-5H2,1-2H3,(H,30,31)(H2,28,29,32)/p-1
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282149(3-[(2-Benzenesulfonylamino-acetylamino)-methyl]-6-...)
Show SMILES CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C23H24N2O5S/c1-15(2)16-8-10-19-17(12-21(23(27)28)20(19)11-9-16)13-24-22(26)14-25-31(29,30)18-6-4-3-5-7-18/h3-12,15,25H,13-14H2,1-2H3,(H,24,26)(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282143(3-{[2-(4-Chloro-benzoylamino)-acetylamino]-methyl}...)
Show SMILES CC(C)c1ccc2c(CNC(=O)CNC(=O)c3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)15-5-9-19-17(11-21(24(30)31)20(19)10-6-15)12-26-22(28)13-27-23(29)16-3-7-18(25)8-4-16/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282142(3-[(2-Benzoylamino-acetylamino)-methyl]-6-isopropy...)
Show SMILES CC(C)c1ccc2c(CNC(=O)CNC(=O)c3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H24N2O4/c1-15(2)16-8-10-19-18(12-21(24(29)30)20(19)11-9-16)13-25-22(27)14-26-23(28)17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (TXA2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282137(3-{[2-(4-Chloro-benzenesulfonylamino)-acetylamino]...)
Show SMILES CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C23H23ClN2O5S/c1-14(2)15-3-9-19-16(11-21(23(28)29)20(19)10-4-15)12-25-22(27)13-26-32(30,31)18-7-5-17(24)6-8-18/h3-11,14,26H,12-13H2,1-2H3,(H,25,27)(H,28,29)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282145(CHEMBL296727 | Semicarbazone Derivative)
Show SMILES CC(C)c1ccc2c(CCCC=NNC(=O)Nc3ccc(Cl)cc3)cc(C([O-])=O)c2cc1
Show InChI InChI=1S/C25H26ClN3O3/c1-16(2)17-6-12-21-18(15-23(24(30)31)22(21)13-7-17)5-3-4-14-27-29-25(32)28-20-10-8-19(26)9-11-20/h6-16H,3-5H2,1-2H3,(H,30,31)(H2,28,29,32)/p-1
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282155(3-(4-Benzenesulfonylamino-4-oxo-butyl)-6-isopropyl...)
Show SMILES CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(C(O)=O)c2cc1
Show InChI InChI=1S/C24H25NO5S/c1-16(2)17-11-13-20-18(15-22(24(27)28)21(20)14-12-17)7-6-10-23(26)25-31(29,30)19-8-4-3-5-9-19/h3-5,8-9,11-16H,6-7,10H2,1-2H3,(H,25,26)(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50282153(CHEMBL47635 | Thiosemicarbazone Derivative)
Show SMILES CC(C)c1ccc2c(CCCC=NNC(=S)Nc3ccccc3)cc(C([O-])=O)c2cc1
Show InChI InChI=1S/C25H27N3O2S/c1-17(2)18-11-13-21-19(16-23(24(29)30)22(21)14-12-18)8-6-7-15-26-28-25(31)27-20-9-4-3-5-10-20/h3-5,9-17H,6-8H2,1-2H3,(H,29,30)(H2,27,28,31)/p-1
Affinity DataIC50: 5.90E+5nMAssay Description:Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)More data for this Ligand-Target Pair