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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'TBXA2R' AND taxid = 10090   
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
TBXA2R


(MOUSE)
BDBM10042
PNG
((5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82224
PNG
(CAS_188200 | ICI 79939 | NSC_188200)
Show SMILES OC(COc1ccc(F)cc1)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C22H29FO6/c23-15-7-10-17(11-8-15)29-14-16(24)9-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-12,16,18-21,24-26H,2,4-6,13-14H2,(H,27,28)
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320n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82225
PNG
(11,9-epoxymethano PGH2)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O4/c1-2-3-5-8-16(21)11-12-18-17(15-13-19(18)24-14-15)9-6-4-7-10-20(22)23/h6,9,11-12,15-19,21H,2-5,7-8,10,13-14H2,1H3,(H,22,23)/b9-6-,12-11+/t15-,16+,17+,18-,19-/m1/s1
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360n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82226
PNG
(9,11-ethano PGH2)
Show SMILES CCCCCC(O)C=CC1C2CCC(C2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-6-9-19(23)14-15-21-18-13-12-17(16-18)20(21)10-7-4-5-8-11-22(24)25/h4,7,14-15,17-21,23H,2-3,5-6,8-13,16H2,1H3,(H,24,25)
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440n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82222
PNG
(CAS_5311388 | EP045 | NSC_5311388)
Show SMILES OC(=O)CCCC=CCC1C2CCC(C2)C1C=NNC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N3O3/c26-21(27)11-7-2-1-6-10-19-16-12-13-17(14-16)20(19)15-23-25-22(28)24-18-8-4-3-5-9-18/h1,3-6,8-9,15-17,19-20H,2,7,10-14H2,(H,26,27)(H2,24,25,28)
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460n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
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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770n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM81949
PNG
(9,11-AzoPGH2 | 9,11-azo PGH2 | J389.306E | PGH2, 9...)
Show SMILES CCCCC[C@H](O)CC[C@@H]1[C@@H](CC=CCCCC(O)=O)c2cc1n[nH]2
Show InChI InChI=1S/C20H32N2O3/c1-2-3-6-9-15(23)12-13-17-16(18-14-19(17)22-21-18)10-7-4-5-8-11-20(24)25/h4,7,14-17,23H,2-3,5-6,8-13H2,1H3,(H,21,22)(H,24,25)/b7-4-/t15-,16+,17+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82220
PNG
(EP011)
Show SMILES O[C@H](COc1ccc(F)cc1)\C=C\[C@H]1C2CC(C=C2)[C@@H]1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C24H29FO4/c25-19-9-12-21(13-10-19)29-16-20(26)11-14-23-18-8-7-17(15-18)22(23)5-3-1-2-4-6-24(27)28/h1,3,7-14,17-18,20,22-23,26H,2,4-6,15-16H2,(H,27,28)/b3-1+,14-11+/t17?,18?,20-,22-,23-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82229
PNG
(CAS_57576-52-0 | TXA2)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82223
PNG
(CAS_71111-01-8 | PTA2)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
Show InChI InChI=1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6-,15-14+/t18-,19-,20+,21+,22-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82228
PNG
(CAS_74034-56-3 | CTA2)
Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18?,19+,20-,21+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM10042
PNG
((5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50020300
PNG
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50101828
PNG
(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82213
PNG
(CAS_41598-07-6 | NSC_114678 | PGD2)
Show SMILES CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82221
PNG
(10alpha,11alpha-oxido PGA2)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1C2OC2C(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O5/c1-2-3-6-9-14(21)12-13-16-15(18(24)20-19(16)25-20)10-7-4-5-8-11-17(22)23/h4,7,12-16,19-21H,2-3,5-6,8-11H2,1H3,(H,22,23)/b7-4-,13-12+/t14-,15+,16+,19?,20?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM82227
PNG
(15-methyl PGF2alpha | CAS_37255 | NSC_37255)
Show SMILES CCCCCC(C)(O)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353639
PNG
(CHEMBL1829806)
Show SMILES CC1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C21H22ClNO4S/c1-14-20(24)13-17(21(14)25)12-16-4-2-3-15(11-16)9-10-23-28(26,27)19-7-5-18(22)6-8-19/h2-8,11,14,17,23H,9-10,12-13H2,1H3
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PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353632
PNG
(CHEMBL1829812)
Show SMILES OC1CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C(=O)C1CC1CC1
Show InChI InChI=1S/C24H28ClNO4S/c25-20-6-8-21(9-7-20)31(29,30)26-11-10-16-2-1-3-18(12-16)13-19-15-23(27)22(24(19)28)14-17-4-5-17/h1-3,6-9,12,17,19,22-23,26-27H,4-5,10-11,13-15H2
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n/an/a 5.80n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
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n/an/a 8n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353643
PNG
(CHEMBL1829808)
Show SMILES CCC1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C22H24ClNO4S/c1-2-20-21(25)14-17(22(20)26)13-16-5-3-4-15(12-16)10-11-24-29(27,28)19-8-6-18(23)7-9-19/h3-9,12,17,20,24H,2,10-11,13-14H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353645
PNG
(CHEMBL1829810)
Show SMILES CC(C)C1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C23H26ClNO4S/c1-15(2)22-21(26)14-18(23(22)27)13-17-5-3-4-16(12-17)10-11-25-30(28,29)20-8-6-19(24)7-9-20/h3-9,12,15,18,22,25H,10-11,13-14H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353640
PNG
(CHEMBL65121)
Show SMILES OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)
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n/an/a 27n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353638
PNG
(CHEMBL1829805)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2CC(=O)CC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-17-4-6-19(7-5-17)27(25,26)22-9-8-14-2-1-3-15(10-14)11-16-12-18(23)13-20(16)24/h1-7,10,16,22H,8-9,11-13H2
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n/an/a 52n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353636
PNG
(CHEMBL1829802)
Show SMILES Oc1c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(=O)c1=O
Show InChI InChI=1S/C19H17ClN2O5S/c20-14-4-6-15(7-5-14)28(26,27)22-9-8-12-2-1-3-13(10-12)11-21-16-17(23)19(25)18(16)24/h1-7,10,21-23H,8-9,11H2
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n/an/a 91n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353646
PNG
(CHEMBL1829811)
Show SMILES CC(C)COC1=C(C(C)C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1
Show InChI InChI=1S/C27H34ClNO4S/c1-18(2)17-33-25-16-22(27(30)26(25)19(3)4)15-21-7-5-6-20(14-21)12-13-29-34(31,32)24-10-8-23(28)9-11-24/h5-11,14,18-19,22,29H,12-13,15-17H2,1-4H3
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n/an/a 259n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353644
PNG
(CHEMBL1829809)
Show SMILES CCC1=C(CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O)OCC(C)C
Show InChI InChI=1S/C26H32ClNO4S/c1-4-24-25(32-17-18(2)3)16-21(26(24)29)15-20-7-5-6-19(14-20)12-13-28-33(30,31)23-10-8-22(27)9-11-23/h5-11,14,18,21,28H,4,12-13,15-17H2,1-3H3
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n/an/a 463n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353641
PNG
(CHEMBL1829804)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C21H22ClNO4S/c22-17-5-7-18(8-6-17)28(26,27)23-13-12-16-3-1-2-15(14-16)4-9-19-20(24)10-11-21(19)25/h1-3,5-8,14,19,23H,4,9-13H2
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353634
PNG
(CHEMBL1828642)
Show SMILES OCCCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353642
PNG
(CHEMBL1829807)
Show SMILES CC(C)COC1=C(C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1
Show InChI InChI=1S/C25H30ClNO4S/c1-17(2)16-31-24-15-21(25(28)18(24)3)14-20-6-4-5-19(13-20)11-12-27-32(29,30)23-9-7-22(26)8-10-23/h4-10,13,17,21,27H,11-12,14-16H2,1-3H3
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353633
PNG
(CHEMBL1829813)
Show SMILES CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1
Show InChI InChI=1S/C28H34ClNO4S/c1-19(2)18-34-27-17-23(28(31)26(27)16-21-6-7-21)15-22-5-3-4-20(14-22)12-13-30-35(32,33)25-10-8-24(29)9-11-25/h3-5,8-11,14,19,21,23,30H,6-7,12-13,15-18H2,1-2H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353634
PNG
(CHEMBL1828642)
Show SMILES OCCCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H20ClNO3S/c18-16-6-8-17(9-7-16)23(21,22)19-11-10-15-4-1-3-14(13-15)5-2-12-20/h1,3-4,6-9,13,19-20H,2,5,10-12H2
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353639
PNG
(CHEMBL1829806)
Show SMILES CC1C(=O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C21H22ClNO4S/c1-14-20(24)13-17(21(14)25)12-16-4-2-3-15(11-16)9-10-23-28(26,27)19-7-5-18(22)6-8-19/h2-8,11,14,17,23H,9-10,12-13H2,1H3
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n/an/an/a 26n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353638
PNG
(CHEMBL1829805)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2CC(=O)CC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-17-4-6-19(7-5-17)27(25,26)22-9-8-14-2-1-3-15(10-14)11-16-12-18(23)13-20(16)24/h1-7,10,16,22H,8-9,11-13H2
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n/an/an/a 11n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353640
PNG
(CHEMBL65121)
Show SMILES OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)
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n/an/an/a 26n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353636
PNG
(CHEMBL1829802)
Show SMILES Oc1c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c(=O)c1=O
Show InChI InChI=1S/C19H17ClN2O5S/c20-14-4-6-15(7-5-14)28(26,27)22-9-8-12-2-1-3-13(10-12)11-21-16-17(23)19(25)18(16)24/h1-7,10,21-23H,8-9,11H2
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n/an/an/a 17n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair
TBXA2R


(MOUSE)
BDBM50353635
PNG
(CHEMBL1829801)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CCc2nnn[nH]2)c1
Show InChI InChI=1S/C17H18ClN5O2S/c18-15-5-7-16(8-6-15)26(24,25)19-11-10-14-3-1-2-13(12-14)4-9-17-20-22-23-21-17/h1-3,5-8,12,19H,4,9-11H2,(H,20,21,22,23)
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n/an/an/a 19n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)

More data for this
Ligand-Target Pair