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Compile Data Set for Download or QSAR

Found 1500 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens)
BDBM50161746
PNG
((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
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PubMed
0.580n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to thromboxane receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50205274
PNG
(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
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0.840n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002792
PNG
(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+
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0.910n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM82512
PNG
(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
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1.40n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1034-41 (1994)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184215
PNG
(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)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002778
PNG
(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+
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1.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002784
PNG
(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+
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2.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184244
PNG
(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)
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2.20n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184228
PNG
(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)
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50331730
PNG
((+/-)-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)
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2.51n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at prostanoid TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184241
PNG
(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)
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002785
PNG
(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+
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002787
PNG
(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+
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50205275
PNG
(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
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3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002796
PNG
(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+
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3.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002808
PNG
(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+
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3.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002814
PNG
(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+
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3.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM50018531
PNG
((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
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3.60n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002759
PNG
(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)
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3.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002759
PNG
(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)
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3.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM82512
PNG
(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
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3.70n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1034-41 (1994)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50278036
PNG
((+/-)-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)
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3.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002783
PNG
(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+
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3.90n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50047064
PNG
(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)
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4n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human platelets


J Med Chem 36: 1175-87 (1993)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002820
PNG
(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+
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4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50171475
PNG
(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)
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4.30n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


Citation and Details
More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM81997
PNG
(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)
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4.40n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50161746
PNG
((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
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4.5n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50171478
PNG
(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)
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4.5n/an/an/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane


Citation and Details
More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM50008781
PNG
(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
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4.70n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50047082
PNG
(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)
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5n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human platelets


J Med Chem 36: 1175-87 (1993)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002772
PNG
(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)
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5.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184225
PNG
(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)
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5.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002772
PNG
(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)
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5.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM50008781
PNG
(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
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5.20n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)

More data for this
Ligand-Target Pair
TBXA2R


(Homo sapiens)
BDBM50002805
PNG
((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)
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5.43n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50292409
PNG
((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
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29548 from thromboxane A2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002757
PNG
(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)
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002757
PNG
(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)
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002782
PNG
(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+
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6n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50047068
PNG
(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)
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6n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human platelets


J Med Chem 36: 1175-87 (1993)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50047054
PNG
(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)
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6n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]-PTA-OH binding affinity to human platelets


J Med Chem 36: 1175-87 (1993)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002801
PNG
(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+
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002770
PNG
(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)
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002770
PNG
(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)
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002818
PNG
(11-{2-[5-(Hydroxy-phenyl-methyl)-benzoimidazol-1-y...)
Show SMILES OC(c1ccccc1)c1ccc2n(C\C=C3/c4ccccc4COc4ccc(cc34)C(O)=O)cnc2c1
Show InChI InChI=1S/C31H24N2O4/c34-30(20-6-2-1-3-7-20)21-10-12-28-27(17-21)32-19-33(28)15-14-25-24-9-5-4-8-23(24)18-37-29-13-11-22(31(35)36)16-26(25)29/h1-14,16-17,19,30,34H,15,18H2,(H,35,36)/b25-14+
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002751
PNG
(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+
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6.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay 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 ...


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002751
PNG
(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+
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6.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50184239
PNG
(2-(9-(4-chlorobenzyl)-8-formyl-2,3,4,9-tetrahydro-...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C=O)cccc21
Show InChI InChI=1S/C22H20ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,13,15H,1,3,5,11-12H2,(H,26,27)
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PubMed
6.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens)
BDBM50002758
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-9-bromo-...)
Show SMILES OC(=O)c1ccc2OCc3ccc(Br)cc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20BrNO5S2/c24-17-8-6-16-14-30-21-9-7-15(23(26)27)12-20(21)22(19(16)13-17)31-11-10-25-32(28,29)18-4-2-1-3-5-18/h1-9,12-13,22,25H,10-11,14H2,(H,26,27)
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6.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)

More data for this
Ligand-Target Pair
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