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Compile Data Set for Download or QSAR

Found 24 hits of ec50 data for polymerid = 10444   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM240746
PNG
(US9422273, 12d)
Show SMILES FC(F)(F)S(=O)(=O)NC(=O)CCc1cc2OCOc2cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C30H39F3N4O7S/c31-30(32,33)45(40,41)36-27(38)12-11-21-15-25-26(44-19-43-25)16-22(21)17-37-14-6-10-24(37)29-35-23(18-42-29)28(39)34-13-5-4-9-20-7-2-1-3-8-20/h15-16,18,20,24H,1-14,17,19H2,(H,34,39)(H,36,38)/t24-/m0/s1
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n/an/an/an/a 0.300n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM62356
PNG
(US9422273, 12b)
Show SMILES FC(F)(F)S(=O)(=O)NC(=O)CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C29H38ClF3N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1
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n/an/an/an/a<1n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM240744
PNG
(US9422273, 12a)
Show SMILES Fc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H38F4N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1
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n/an/an/an/a<1n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM240745
PNG
(US9422273, 12c)
Show SMILES COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C30H41F3N4O6S/c1-42-24-14-12-22(13-15-27(38)36-44(40,41)30(31,32)33)23(18-24)19-37-17-7-11-26(37)29-35-25(20-43-29)28(39)34-16-6-5-10-21-8-3-2-4-9-21/h12,14,18,20-21,26H,2-11,13,15-17,19H2,1H3,(H,34,39)(H,36,38)/t26-/m0/s1
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n/an/an/an/a<1n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM240747
PNG
(US9422273, 12e)
Show SMILES CCCCCCCCNC(=O)c1coc(n1)[C@@H]1CCCN1Cc1cc(F)ccc1CCC(=O)NS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H36F4N4O5S/c1-2-3-4-5-6-7-14-32-25(37)22-18-40-26(33-22)23-9-8-15-35(23)17-20-16-21(28)12-10-19(20)11-13-24(36)34-41(38,39)27(29,30)31/h10,12,16,18,23H,2-9,11,13-15,17H2,1H3,(H,32,37)(H,34,36)/t23-/m0/s1
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n/an/an/an/a>1n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238326
PNG
(US9394273, 15)
Show SMILES OC(Cc1ccc2ccsc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26O4S/c27-22(15-18-3-5-20-13-14-31-25(20)16-18)10-8-19-9-12-24(28)23(19)11-4-17-1-6-21(7-2-17)26(29)30/h1-3,5-8,10,13-14,16,19,22-23,27H,4,9,11-12,15H2,(H,29,30)/b10-8+/t19-,22?,23+/m0/s1
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n/an/an/an/a<10n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50283059
PNG
((Z)-7-[(1R,5S,6R,7R)-7-((E)-3-Hydroxy-oct-1-enyl)-...)
Show SMILES CCCCCC(O)\C=C\[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H32O6/c1-2-3-6-9-15(22)12-13-17-16(10-7-4-5-8-11-20(23)24)18-14-19(17)27-21(25)26-18/h4,7,12-13,15-19,22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15?,16-,17-,18+,19-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activity of the compound against thromboxane A2 receptor evaluated by aggregation of human platelets

Bioorg Med Chem Lett 4: 2103-2106 (1994)


Article DOI: 10.1016/S0960-894X(01)80110-4
BindingDB Entry DOI: 10.7270/Q23N2394
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50090136
PNG
((Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(R)-3-hy...)
Show SMILES CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=95%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238319
PNG
(US9394273, 10 | US9394273, 8 | US9394273, 9)
Show SMILES OC(Cc1cccc(Br)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25BrO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 100n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238319
PNG
(US9394273, 10 | US9394273, 8 | US9394273, 9)
Show SMILES OC(Cc1cccc(Br)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25BrO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 108n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238322
PNG
(US9394273, 11 | US9394273, 12)
Show SMILES OC(Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3O4/c26-25(27,28)20-3-1-2-17(14-20)15-21(29)11-9-18-10-13-23(30)22(18)12-6-16-4-7-19(8-5-16)24(31)32/h1-5,7-9,11,14,18,21-22,29H,6,10,12-13,15H2,(H,31,32)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 218n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=95%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50090133
PNG
((Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-(S)-3-hy...)
Show SMILES O[C@@H](CCc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H31F3O5/c25-24(26,27)17-7-5-6-16(14-17)10-11-18(28)12-13-20-19(21(29)15-22(20)30)8-3-1-2-4-9-23(31)32/h1,3,5-7,12-14,18-22,28-30H,2,4,8-11,15H2,(H,31,32)/b3-1-,13-12+/t18-,19+,20+,21-,22+/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=50%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50085910
PNG
((Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenox...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=100%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238334
PNG
(US9394273, 23 | US9394273, 24)
Show SMILES OC(Cc1ccc(F)c(F)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24F2O4/c25-21-11-4-16(14-22(21)26)13-19(27)9-7-17-8-12-23(28)20(17)10-3-15-1-5-18(6-2-15)24(29)30/h1-2,4-7,9,11,14,17,19-20,27H,3,8,10,12-13H2,(H,29,30)/b9-7+/t17-,19?,20+/m0/s1
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n/an/an/an/a 2.45E+3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50283060
PNG
((Z)-7-[(1R,5S,6R,7R)-7-((E)-3-Hydroxy-oct-1-enyl)-...)
Show SMILES CCCCCC(O)\C=C\[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C\C=C/CCCC(N)=O
Show InChI InChI=1S/C21H33NO5/c1-2-3-6-9-15(23)12-13-17-16(10-7-4-5-8-11-20(22)24)18-14-19(17)27-21(25)26-18/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H2,22,24)/b7-4-,13-12+/t15?,16-,17-,18+,19-/m1/s1
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n/an/an/an/a 3.11E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Activity of the compound against thromboxane A2 receptor evaluated by aggregation of human platelets

Bioorg Med Chem Lett 4: 2103-2106 (1994)


Article DOI: 10.1016/S0960-894X(01)80110-4
BindingDB Entry DOI: 10.7270/Q23N2394
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238318
PNG
(US9394273, 7)
Show SMILES OC(Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25ClO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 4.83E+3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238330
PNG
(US9394273, 19 | US9394273, 20)
Show SMILES OC(Cc1ccc(F)cc1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25FO4/c25-20-10-3-17(4-11-20)15-21(26)12-8-18-9-14-23(27)22(18)13-5-16-1-6-19(7-2-16)24(28)29/h1-4,6-8,10-12,18,21-22,26H,5,9,13-15H2,(H,28,29)/b12-8+/t18-,21?,22+/m0/s1
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n/an/an/an/a 5.60E+3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM238316
PNG
(US9394273, 5 | US9394273, 6)
Show SMILES OC(Cc1cccc(F)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25FO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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UniChem
US Patent
n/an/an/an/a 7.19E+3n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50085911
PNG
(7-{(1R,2R,3R,5S)-2-[(R)-4-(3-Chloro-phenoxy)-3-hyd...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1cccc(Cl)c1
Show InChI InChI=1S/C22H33ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=90%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50090137
PNG
(7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-4,...)
Show SMILES CCCCC(C)(C)[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C22H42O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h16-20,23-25H,4-15H2,1-3H3,(H,26,27)/t16-,17-,18+,19-,20-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619<20%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50090140
PNG
(7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-...)
Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H35F3O5/c25-24(26,27)17-7-5-6-16(14-17)10-11-18(28)12-13-20-19(21(29)15-22(20)30)8-3-1-2-4-9-23(31)32/h5-7,14,18-22,28-30H,1-4,8-13,15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=100%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50085914
PNG
(7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((S)-3-hydroxy-oc...)
Show SMILES CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C20H38O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=100%)

Bioorg Med Chem Lett 10: 1519-22 (2000)


BindingDB Entry DOI: 10.7270/Q28W3CJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1
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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 3 mins by calcium flux/FLIPR assay

Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair