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Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'renard' and Initial = 'jf'   
Target/Host
(Institution)
LigandTarget/Host
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 (Human))
BDBM50188618
PNG
(CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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n/an/a 0.460n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 0.560n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188613
PNG
(CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)
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n/an/a 0.580n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188615
PNG
(CHEMBL274415 | N-n-pentyl-N'-[2-(4-methylphenoxy)-...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O6S/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)
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n/an/a 0.650n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188618
PNG
(CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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n/an/a 0.680n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188616
PNG
(CHEMBL379659 | N-n-pentyl-N'-[2-(3, 5-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cc(C)cc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188622
PNG
(CHEMBL209406 | N-n-butyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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n/an/a 0.700n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188620
PNG
(CHEMBL379736 | N-n-hexyl-N'-[2-(cyclohexylamino)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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n/an/a 0.710n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188612
PNG
(CHEMBL208818 | N-n-hexyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O6S/c1-3-4-5-6-13-21-20(24)22-30(27,28)19-14-16(23(25)26)9-12-18(19)29-17-10-7-15(2)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H2,21,22,24)
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n/an/a 0.720n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188622
PNG
(CHEMBL209406 | N-n-butyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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n/an/a 0.740n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188623
PNG
(CHEMBL380274 | N-tert-butyl-N'-[2-(4-methylphenylt...)
Show SMILES Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 0.770n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188619
PNG
(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)
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n/an/a 0.780n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 0.780n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188610
PNG
(CHEMBL208543 | N-cyclohexyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
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n/an/a 0.790n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188607
PNG
(CHEMBL208115 | N-n-pentyl-N'-[2-(3-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-11-20-19(24)22-29(27,28)18-13-16(23(25)26)9-10-17(18)21-15-8-6-7-14(2)12-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H2,20,22,24)
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n/an/a 1.01n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188619
PNG
(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)
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n/an/a 1.05n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188620
PNG
(CHEMBL379736 | N-n-hexyl-N'-[2-(cyclohexylamino)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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n/an/a 1.07n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188616
PNG
(CHEMBL379659 | N-n-pentyl-N'-[2-(3, 5-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cc(C)cc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)
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n/an/a 1.08n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188609
PNG
(CHEMBL209245 | N-benzyl-N'-[2-(4-methylphenylamino...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
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n/an/a 1.17n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188617
PNG
(CHEMBL209035 | N-tert-butyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.26n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188621
PNG
(CHEMBL377679 | N-n-pentyl-N'-[2-(2, 6-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1c(C)cccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-12-21-20(25)23-30(28,29)18-13-16(24(26)27)10-11-17(18)22-19-14(2)8-7-9-15(19)3/h7-11,13,22H,4-6,12H2,1-3H3,(H2,21,23,25)
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n/an/a 1.48n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188610
PNG
(CHEMBL208543 | N-cyclohexyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
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n/an/a 1.52n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188621
PNG
(CHEMBL377679 | N-n-pentyl-N'-[2-(2, 6-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1c(C)cccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-12-21-20(25)23-30(28,29)18-13-16(24(26)27)10-11-17(18)22-19-14(2)8-7-9-15(19)3/h7-11,13,22H,4-6,12H2,1-3H3,(H2,21,23,25)
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n/an/a 1.52n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188612
PNG
(CHEMBL208818 | N-n-hexyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O6S/c1-3-4-5-6-13-21-20(24)22-30(27,28)19-14-16(23(25)26)9-12-18(19)29-17-10-7-15(2)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H2,21,22,24)
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n/an/a 1.58n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188623
PNG
(CHEMBL380274 | N-tert-butyl-N'-[2-(4-methylphenylt...)
Show SMILES Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.74n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188617
PNG
(CHEMBL209035 | N-tert-butyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 1.77n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188613
PNG
(CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)
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n/an/a 1.82n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188609
PNG
(CHEMBL209245 | N-benzyl-N'-[2-(4-methylphenylamino...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
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n/an/a 1.90n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188611
PNG
(CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...)
Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)
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n/an/a 2.5n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188615
PNG
(CHEMBL274415 | N-n-pentyl-N'-[2-(4-methylphenoxy)-...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O6S/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)
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n/an/a 2.63n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 2.65n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188611
PNG
(CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...)
Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)
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n/an/a 2.68n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 3.53n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188607
PNG
(CHEMBL208115 | N-n-pentyl-N'-[2-(3-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-11-20-19(24)22-29(27,28)18-13-16(23(25)26)9-10-17(18)21-15-8-6-7-14(2)12-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H2,20,22,24)
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n/an/a 4.43n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 13.6n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 30.8n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188618
PNG
(CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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n/an/a 38.5n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188613
PNG
(CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)
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n/an/a 43.2n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188609
PNG
(CHEMBL209245 | N-benzyl-N'-[2-(4-methylphenylamino...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
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n/an/a 45.0n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188607
PNG
(CHEMBL208115 | N-n-pentyl-N'-[2-(3-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cccc(C)c1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-11-20-19(24)22-29(27,28)18-13-16(23(25)26)9-10-17(18)21-15-8-6-7-14(2)12-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H2,20,22,24)
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n/an/a 45.5n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188620
PNG
(CHEMBL379736 | N-n-hexyl-N'-[2-(cyclohexylamino)-5...)
Show SMILES CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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n/an/a 46.2n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188621
PNG
(CHEMBL377679 | N-n-pentyl-N'-[2-(2, 6-dimethylphen...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1c(C)cccc1C)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O5S/c1-4-5-6-12-21-20(25)23-30(28,29)18-13-16(24(26)27)10-11-17(18)22-19-14(2)8-7-9-15(19)3/h7-11,13,22H,4-6,12H2,1-3H3,(H2,21,23,25)
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n/an/a 47.1n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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n/an/a 50.0n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPalpha (short isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188622
PNG
(CHEMBL209406 | N-n-butyl-N'-[2-(4-methylphenoxy)-5...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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n/an/a 52.9n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188619
PNG
(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)
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n/an/a 53.1n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188623
PNG
(CHEMBL380274 | N-tert-butyl-N'-[2-(4-methylphenylt...)
Show SMILES Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 55.2n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188615
PNG
(CHEMBL274415 | N-n-pentyl-N'-[2-(4-methylphenoxy)-...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N3O6S/c1-3-4-5-12-20-19(23)21-29(26,27)18-13-15(22(24)25)8-11-17(18)28-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H2,20,21,23)
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n/an/a 55.4n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188611
PNG
(CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...)
Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)
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n/an/a 55.5n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188608
PNG
(CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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n/an/a 56.9n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPalpha (short isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188617
PNG
(CHEMBL209035 | N-tert-butyl-N'-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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n/an/a 57.6n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
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