Compile Data Set for Download or QSAR
Found 1610 Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor'
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50161746((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
Affinity DataKi:  0.580nMAssay Description:Binding affinity to thromboxane receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50188619(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205274(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
Affinity DataKi:  0.840nMAssay Description:Binding affinity to human TP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002792(11-[2-(5-Benzylcarbamoyl-benzoimidazol-1-yl)-ethyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C32H25N3O4/c36-31(33-18-21-6-2-1-3-7-21)22-10-12-29-28(17-22)34-20-35(29)15-14-26-25-9-5-4-8-24(25)19-39-30-13-11-23(32(37)38)16-27(26)30/h1-14,16-17,20H,15,18-19H2,(H,33,36)(H,37,38)/b26-14+
Affinity DataKi:  0.910nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50188619(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM82512(CAS_128719-90-4 | I-BOP)
Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50167939(3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...)
Show SMILES c1ccccc1
Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184215(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21
Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002778(11-[2-(5-Nitro-benzoimidazol-1-yl)-ethylidene]-6,1...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C24H17N3O5/c28-24(29)15-5-8-23-20(11-15)19(18-4-2-1-3-16(18)13-32-23)9-10-26-14-25-21-12-17(27(30)31)6-7-22(21)26/h1-9,11-12,14H,10,13H2,(H,28,29)/b19-9+
Affinity DataKi:  1.80nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002784(11-[2-(5-Trifluoromethyl-benzoimidazol-1-yl)-ethyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(ccc34)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H17F3N2O3/c26-25(27,28)17-6-7-22-21(12-17)29-14-30(22)10-9-19-18-4-2-1-3-16(18)13-33-23-8-5-15(24(31)32)11-20(19)23/h1-9,11-12,14H,10,13H2,(H,31,32)/b19-9+
Affinity DataKi:  2.20nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184244(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
Affinity DataKi:  2.20nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184228(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21
Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25)
Affinity DataKi:  2.40nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50331730((+/-)-2-(9-(4-chlorobenzyl)-6-fluoro-8-(methylsulf...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H21ClFNO4S/c1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27)
Affinity DataKi:  2.51nMAssay Description:Antagonist activity at prostanoid TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184241(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
Affinity DataKi:  2.60nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002787(11-(2-[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]imidazol-...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc5OCOc5cc34)c2c1
Show InChI InChI=1S/C25H18N2O5/c28-25(29)15-5-6-22-19(9-15)18(17-4-2-1-3-16(17)12-30-22)7-8-27-13-26-20-10-23-24(11-21(20)27)32-14-31-23/h1-7,9-11,13H,8,12,14H2,(H,28,29)/b18-7+
Affinity DataKi:  2.70nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002785(11-[2-(5,6-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1cc2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2cc1C
Show InChI InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b21-9+
Affinity DataKi:  2.70nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50205275(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
Affinity DataKi:  3nMAssay Description:Binding affinity to human TP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50167939(3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...)
Show SMILES c1ccccc1
Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
Affinity DataKi:  3.10nMMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002796(11-[2-(5-Methoxy-benzoimidazol-1-yl)-ethylidene]-6...)
Show SMILES COc1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1S/C25H20N2O4/c1-30-18-7-8-23-22(13-18)26-15-27(23)11-10-20-19-5-3-2-4-17(19)14-31-24-9-6-16(25(28)29)12-21(20)24/h2-10,12-13,15H,11,14H2,1H3,(H,28,29)/b20-10+
Affinity DataKi:  3.20nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002808(11-[2-(5,6-Dimethoxy-benzoimidazol-1-yl)-ethyliden...)
Show SMILES COc1cc2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2cc1OC
Show InChI InChI=1S/C26H22N2O5/c1-31-24-12-21-22(13-25(24)32-2)28(15-27-21)10-9-19-18-6-4-3-5-17(18)14-33-23-8-7-16(26(29)30)11-20(19)23/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b19-9+
Affinity DataKi:  3.40nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50018531((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002814(11-[2-(4,5-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1C
Show InChI InChI=1S/C26H22N2O3/c1-16-7-9-23-25(17(16)2)27-15-28(23)12-11-21-20-6-4-3-5-19(20)14-31-24-10-8-18(26(29)30)13-22(21)24/h3-11,13,15H,12,14H2,1-2H3,(H,29,30)/b21-11+
Affinity DataKi:  3.60nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002759(5-(2-Benzenesulfonylamino-ethylsulfanyl)-5,11-dihy...)
Show SMILES OC(=O)c1ccc2SCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H21NO4S3/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)29-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
Affinity DataKi:  3.70nMAssay Description:Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM82512(CAS_128719-90-4 | I-BOP)
Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
Affinity DataKi:  3.70nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002759(5-(2-Benzenesulfonylamino-ethylsulfanyl)-5,11-dihy...)
Show SMILES OC(=O)c1ccc2SCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H21NO4S3/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)29-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
Affinity DataKi:  3.70nMAssay Description:Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50278036((+/-)-2-(5-(2,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
Affinity DataKi:  3.80nMAssay Description:Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002783(11-[2-(4,6-Dimethyl-benzoimidazol-1-yl)-ethylidene...)
Show SMILES Cc1cc(C)c2ncn(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)c2c1
Show InChI InChI=1S/C26H22N2O3/c1-16-11-17(2)25-23(12-16)28(15-27-25)10-9-21-20-6-4-3-5-19(20)14-31-24-8-7-18(26(29)30)13-22(21)24/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b21-9+
Affinity DataKi:  3.90nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002820(11-[2-(2-Hydroxy-benzoimidazol-1-yl)-ethylidene]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3c4ccccc4[nH]c3=O)c2c1
Show InChI InChI=1S/C24H18N2O4/c27-23(28)15-9-10-22-19(13-15)18(17-6-2-1-5-16(17)14-30-22)11-12-26-21-8-4-3-7-20(21)25-24(26)29/h1-11,13H,12,14H2,(H,25,29)(H,27,28)/b18-11+
Affinity DataKi:  4nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50047064(4-[5-Fluoro-1-(4-methoxy-benzyl)-1H-benzoimidazol-...)
Show SMILES COc1ccc(Cn2c(CC(C)(C)CC(O)=O)nc3cc(F)ccc23)cc1
Show InChI InChI=1S/C21H23FN2O3/c1-21(2,12-20(25)26)11-19-23-17-10-15(22)6-9-18(17)24(19)13-14-4-7-16(27-3)8-5-14/h4-10H,11-13H2,1-3H3,(H,25,26)
Affinity DataKi:  4nMAssay Description:Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002751(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
Affinity DataKi:  4.20nMAssay Description:Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligandMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002751(11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+
Affinity DataKi:  4.20nMAssay Description:Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50171475(CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...)
Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
Affinity DataKi:  4.30nMAssay Description:Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membraneMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM81997(CAS_114865 | NSC_114865 | U44069)
Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
Affinity DataKi:  4.40nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50171478(CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)
Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30)
Affinity DataKi:  4.5nMAssay Description:Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membraneMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50161746((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
Affinity DataKi:  4.5nMAssay Description:Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50008781(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
Affinity DataKi:  4.70nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50047082(4-[5-Fluoro-1-(4-methylsulfanyl-benzyl)-1H-benzoim...)
Show SMILES CSc1ccc(Cn2c(CC(C)(C)CC(O)=O)nc3cc(F)ccc23)cc1
Show InChI InChI=1S/C21H23FN2O2S/c1-21(2,12-20(25)26)11-19-23-17-10-15(22)6-9-18(17)24(19)13-14-4-7-16(27-3)8-5-14/h4-10H,11-13H2,1-3H3,(H,25,26)
Affinity DataKi:  5nMAssay Description:Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50184225(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
Affinity DataKi:  5.10nMAssay Description:Binding affinity to TP receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002772(11-[2-(2-Hydroxy-benzoylamino)-ethylsulfanyl]-6,11...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=O)c3ccccc3O)c2c1
Show InChI InChI=1S/C24H21NO5S/c26-20-8-4-3-7-18(20)23(27)25-11-12-31-22-17-6-2-1-5-16(17)14-30-21-10-9-15(24(28)29)13-19(21)22/h1-10,13,22,26H,11-12,14H2,(H,25,27)(H,28,29)
Affinity DataKi:  5.10nMAssay Description:Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002772(11-[2-(2-Hydroxy-benzoylamino)-ethylsulfanyl]-6,11...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=O)c3ccccc3O)c2c1
Show InChI InChI=1S/C24H21NO5S/c26-20-8-4-3-7-18(20)23(27)25-11-12-31-22-17-6-2-1-5-16(17)14-30-21-10-9-15(24(28)29)13-19(21)22/h1-10,13,22,26H,11-12,14H2,(H,25,27)(H,28,29)
Affinity DataKi:  5.10nMAssay Description:Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligandMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50008781(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
Affinity DataKi:  5.20nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002805((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)
Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
Affinity DataKi:  5.43nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50292409((Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]SQ29548 from thromboxane A2 receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002757(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
Affinity DataKi:  5.70nMAssay Description:Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets ...More data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002757(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
Affinity DataKi:  5.70nMAssay Description:Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50047068(4-[5-Chloro-1-(4-methylsulfanyl-benzyl)-1H-benzoim...)
Show SMILES CSc1ccc(Cn2c(CC(C)(C)CC(O)=O)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C21H23ClN2O2S/c1-21(2,12-20(25)26)11-19-23-17-10-15(22)6-9-18(17)24(19)13-14-4-7-16(27-3)8-5-14/h4-10H,11-13H2,1-3H3,(H,25,26)
Affinity DataKi:  6nMAssay Description:Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002782(11-[2-(5-Chloro-benzoimidazol-1-yl)-ethylidene]-6,...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C/Cn3cnc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C24H17ClN2O3/c25-17-6-7-22-21(12-17)26-14-27(22)10-9-19-18-4-2-1-3-16(18)13-30-23-8-5-15(24(28)29)11-20(19)23/h1-9,11-12,14H,10,13H2,(H,28,29)/b19-9+
Affinity DataKi:  6nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50047054(4-[1-(3,4-Dichloro-benzyl)-5-fluoro-1H-benzoimidaz...)
Show SMILES CC(C)(CC(O)=O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2FN2O2/c1-20(2,10-19(26)27)9-18-24-16-8-13(23)4-6-17(16)25(18)11-12-3-5-14(21)15(22)7-12/h3-8H,9-11H2,1-2H3,(H,26,27)
Affinity DataKi:  6nMAssay Description:Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002801(11-[2-(5,7-Dimethoxy-benzoimidazol-1-yl)-ethyliden...)
Show SMILES COc1cc(OC)c2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1S/C26H22N2O5/c1-31-18-12-22-25(24(13-18)32-2)28(15-27-22)10-9-20-19-6-4-3-5-17(19)14-33-23-8-7-16(26(29)30)11-21(20)23/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b20-9+
Affinity DataKi:  6.10nMAssay Description:Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50002770(11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-di...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNC(=S)NCc3ccccc3)c2c1
Show InChI InChI=1S/C25H24N2O3S2/c28-24(29)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(31)27-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,28,29)(H2,26,27,31)
Affinity DataKi:  6.10nMAssay Description:Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligandMore data for this Ligand-Target Pair
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