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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50006301   
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))
BDBM50456020
PNG
(CHEMBL2368531)
Show SMILES [Li+].[O-]C(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCN1CCCCC1 |THB:20:19:18:16.15,12:13:18:16.15|
Show InChI InChI=1S/C29H39N3O5.Li/c33-26(34)13-10-20-8-2-3-9-21(20)18-22-24-11-12-25(37-24)27(22)29-31-23(19-36-29)28(35)30-14-4-7-17-32-15-5-1-6-16-32;/h2-3,8-9,19,22,24-25,27H,1,4-7,10-18H2,(H,30,35)(H,33,34);/q;+1/p-1
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n/an/an/a 22n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047303
PNG
((3-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-yl...)
Show SMILES OC(=O)Cc1cccc(CC2C3CCC(O3)C2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |TLB:9:10:15:13.12,THB:17:16:15:13.12|
Show InChI InChI=1S/C29H38N2O5/c32-26(33)17-21-11-6-10-20(15-21)16-22-24-12-13-25(36-24)27(22)29-31-23(18-35-29)28(34)30-14-5-4-9-19-7-2-1-3-8-19/h6,10-11,15,18-19,22,24-25,27H,1-5,7-9,12-14,16-17H2,(H,30,34)(H,32,33)
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n/an/an/a 1.20n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047266
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H40N2O5/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,31,35)(H,33,34)
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n/an/an/a 0.100n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047267
PNG
(2-{3-[2-(3-Hydroxy-propyl)-benzyl]-7-oxa-bicyclo[2...)
Show SMILES OCCCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C30H42N2O4/c33-18-8-14-22-12-4-5-13-23(22)19-24-26-15-16-27(36-26)28(24)30-32-25(20-35-30)29(34)31-17-7-6-11-21-9-2-1-3-10-21/h4-5,12-13,20-21,24,26-28,33H,1-3,6-11,14-19H2,(H,31,34)
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n/an/an/a 112n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047268
PNG
(3-(2-{3-[4-(4-Cyclohexylcarbamoyl-butylcarbamoyl)-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC(=O)NC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C31H41N3O6/c35-27(33-22-10-2-1-3-11-22)12-6-7-17-32-30(38)24-19-39-31(34-24)29-23(25-14-15-26(29)40-25)18-21-9-5-4-8-20(21)13-16-28(36)37/h4-5,8-9,19,22-23,25-26,29H,1-3,6-7,10-18H2,(H,32,38)(H,33,35)(H,36,37)
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n/an/an/a 22n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047270
PNG
(3-[2-(3-{4-[4-(4-Methoxy-phenyl)-butylcarbamoyl]-o...)
Show SMILES COc1ccc(CCCCNC(=O)c2coc(n2)C2C3CCC(O3)C2Cc2ccccc2CCC(O)=O)cc1 |THB:16:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C31H36N2O6/c1-37-23-12-9-20(10-13-23)6-4-5-17-32-30(36)25-19-38-31(33-25)29-24(26-14-15-27(29)39-26)18-22-8-3-2-7-21(22)11-16-28(34)35/h2-3,7-10,12-13,19,24,26-27,29H,4-6,11,14-18H2,1H3,(H,32,36)(H,34,35)
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n/an/an/a 0.300n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047269
PNG
(3-(2-{3-[4-(5,5,5-Trifluoro-pentylcarbamoyl)-oxazo...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC(F)(F)F |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C25H29F3N2O5/c26-25(27,28)11-3-4-12-29-23(33)18-14-34-24(30-18)22-17(19-8-9-20(22)35-19)13-16-6-2-1-5-15(16)7-10-21(31)32/h1-2,5-6,14,17,19-20,22H,3-4,7-13H2,(H,29,33)(H,31,32)
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n/an/an/a 4.80n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047271
PNG
(3-{2-[3-(4-tert-Butylcarbamoyl-oxazol-2-yl)-7-oxa-...)
Show SMILES CC(C)(C)NC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:10:12:17:14.15,19:18:17:14.15|
Show InChI InChI=1S/C24H30N2O5/c1-24(2,3)26-22(29)17-13-30-23(25-17)21-16(18-9-10-19(21)31-18)12-15-7-5-4-6-14(15)8-11-20(27)28/h4-7,13,16,18-19,21H,8-12H2,1-3H3,(H,26,29)(H,27,28)
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n/an/an/a 19n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047272
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES CC(C)(Cc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1)C(O)=O |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C32H44N2O5/c1-32(2,31(36)37)19-23-14-7-6-13-22(23)18-24-26-15-16-27(39-26)28(24)30-34-25(20-38-30)29(35)33-17-9-8-12-21-10-4-3-5-11-21/h6-7,13-14,20-21,24,26-28H,3-5,8-12,15-19H2,1-2H3,(H,33,35)(H,36,37)
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n/an/an/a 36n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047273
PNG
(2-{3-[2-(2-Carboxy-ethyl)-benzyl]-7-oxa-bicyclo[2....)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)OCCCCC1CCCCC1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C30H39NO6/c32-27(33)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)29-31-24(19-36-29)30(34)35-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,32,33)
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n/an/an/a 1n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047275
PNG
(3-{2-[3-(4-Methylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:7:9:14:11.12,16:15:14:11.12|
Show InChI InChI=1S/C21H24N2O5/c1-22-20(26)15-11-27-21(23-15)19-14(16-7-8-17(19)28-16)10-13-5-3-2-4-12(13)6-9-18(24)25/h2-5,11,14,16-17,19H,6-10H2,1H3,(H,22,26)(H,24,25)
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n/an/an/a 45n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047274
PNG
(3-{2-[3-(4-Pentylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |TLB:20:19:18:15.16,THB:11:13:18:15.16|
Show InChI InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)
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n/an/an/a 4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047276
PNG
(3-(2-{3-[4-(Methyl-pentyl-carbamoyl)-oxazol-2-yl]-...)
Show SMILES CCCCCN(C)C(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:12:14:19:16.17,21:20:19:16.17|
Show InChI InChI=1S/C26H34N2O5/c1-3-4-7-14-28(2)26(31)20-16-32-25(27-20)24-19(21-11-12-22(24)33-21)15-18-9-6-5-8-17(18)10-13-23(29)30/h5-6,8-9,16,19,21-22,24H,3-4,7,10-15H2,1-2H3,(H,29,30)
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n/an/an/a 11n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047277
PNG
((2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-yl...)
Show SMILES OC(=O)COc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C29H38N2O6/c32-26(33)18-35-23-12-5-4-11-20(23)16-21-24-13-14-25(37-24)27(21)29-31-22(17-36-29)28(34)30-15-7-6-10-19-8-2-1-3-9-19/h4-5,11-12,17,19,21,24-25,27H,1-3,6-10,13-16,18H2,(H,30,34)(H,32,33)
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n/an/an/a 3.20n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047278
PNG
(3-[2-(3-{4-[4-(4-Chloro-phenyl)-butylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCc1ccc(Cl)cc1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H33ClN2O5/c31-22-11-8-19(9-12-22)5-3-4-16-32-29(36)24-18-37-30(33-24)28-23(25-13-14-26(28)38-25)17-21-7-2-1-6-20(21)10-15-27(34)35/h1-2,6-9,11-12,18,23,25-26,28H,3-5,10,13-17H2,(H,32,36)(H,34,35)
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n/an/an/a 0.200n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047279
PNG
(3-{2-[3-(4-Propylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:9:11:16:13.14,18:17:16:13.14|
Show InChI InChI=1S/C23H28N2O5/c1-2-11-24-22(28)17-13-29-23(25-17)21-16(18-8-9-19(21)30-18)12-15-6-4-3-5-14(15)7-10-20(26)27/h3-6,13,16,18-19,21H,2,7-12H2,1H3,(H,24,28)(H,26,27)
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n/an/an/a 10n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047281
PNG
(2-{3-[2-(3-Methanesulfonylamino-3-oxo-propyl)-benz...)
Show SMILES CS(=O)(=O)NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:15:16:21:19.18,THB:23:22:21:19.18|
Show InChI InChI=1S/C31H43N3O6S/c1-41(37,38)34-28(35)17-14-22-12-5-6-13-23(22)19-24-26-15-16-27(40-26)29(24)31-33-25(20-39-31)30(36)32-18-8-7-11-21-9-3-2-4-10-21/h5-6,12-13,20-21,24,26-27,29H,2-4,7-11,14-19H2,1H3,(H,32,36)(H,34,35)
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n/an/an/a 1.60n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047280
PNG
(3-[2-(3-{4-[4-(4-Hydroxy-phenyl)-butylcarbamoyl]-o...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCc1ccc(O)cc1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H34N2O6/c33-22-11-8-19(9-12-22)5-3-4-16-31-29(36)24-18-37-30(32-24)28-23(25-13-14-26(28)38-25)17-21-7-2-1-6-20(21)10-15-27(34)35/h1-2,6-9,11-12,18,23,25-26,28,33H,3-5,10,13-17H2,(H,31,36)(H,34,35)
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n/an/an/a 0.5n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047282
PNG
(3-[2-(3-{4-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCc1ccc(Cl)cc1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C28H29ClN2O5/c29-20-8-5-17(6-9-20)13-14-30-27(34)22-16-35-28(31-22)26-21(23-10-11-24(26)36-23)15-19-4-2-1-3-18(19)7-12-25(32)33/h1-6,8-9,16,21,23-24,26H,7,10-15H2,(H,30,34)(H,32,33)
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n/an/an/a 1.30n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047286
PNG
((2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-yl...)
Show SMILES OC(=O)Cc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C29H38N2O5/c32-26(33)17-21-12-5-4-11-20(21)16-22-24-13-14-25(36-24)27(22)29-31-23(18-35-29)28(34)30-15-7-6-10-19-8-2-1-3-9-19/h4-5,11-12,18-19,22,24-25,27H,1-3,6-10,13-17H2,(H,30,34)(H,32,33)
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n/an/an/a 19n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047283
PNG
(3-{2-[3-(4-Phenethylcarbamoyl-oxazol-2-yl)-7-oxa-b...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCc1ccccc1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C28H30N2O5/c31-25(32)13-10-19-8-4-5-9-20(19)16-21-23-11-12-24(35-23)26(21)28-30-22(17-34-28)27(33)29-15-14-18-6-2-1-3-7-18/h1-9,17,21,23-24,26H,10-16H2,(H,29,33)(H,31,32)
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n/an/an/a 0.700n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047285
PNG
(3-[2-(3-{4-[4-(4-Fluoro-phenyl)-butylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCc1ccc(F)cc1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H33FN2O5/c31-22-11-8-19(9-12-22)5-3-4-16-32-29(36)24-18-37-30(33-24)28-23(25-13-14-26(28)38-25)17-21-7-2-1-6-20(21)10-15-27(34)35/h1-2,6-9,11-12,18,23,25-26,28H,3-5,10,13-17H2,(H,32,36)(H,34,35)
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n/an/an/a 3.90n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047284
PNG
(3-{2-[3-(4-Heptylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CCCCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:13:15:20:17.18,22:21:20:17.18|
Show InChI InChI=1S/C27H36N2O5/c1-2-3-4-5-8-15-28-26(32)21-17-33-27(29-21)25-20(22-12-13-23(25)34-22)16-19-10-7-6-9-18(19)11-14-24(30)31/h6-7,9-10,17,20,22-23,25H,2-5,8,11-16H2,1H3,(H,28,32)(H,30,31)
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n/an/an/a 0.200n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047289
PNG
(3-(2-{3-[4-(5,5-Dimethyl-hexylcarbamoyl)-oxazol-2-...)
Show SMILES CC(C)(C)CCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:14:16:21:18.19,23:22:21:18.19|
Show InChI InChI=1S/C28H38N2O5/c1-28(2,3)14-6-7-15-29-26(33)21-17-34-27(30-21)25-20(22-11-12-23(25)35-22)16-19-9-5-4-8-18(19)10-13-24(31)32/h4-5,8-9,17,20,22-23,25H,6-7,10-16H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/a 0.600n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047288
PNG
(3-(2-{3-[4-(2-Cyclohexyl-ethylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C28H36N2O5/c31-25(32)13-10-19-8-4-5-9-20(19)16-21-23-11-12-24(35-23)26(21)28-30-22(17-34-28)27(33)29-15-14-18-6-2-1-3-7-18/h4-5,8-9,17-18,21,23-24,26H,1-3,6-7,10-16H2,(H,29,33)(H,31,32)
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n/an/an/a 0.700n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047296
PNG
(3-(2-{3-[4-(3,3-Dimethyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES CC(C)(C)CCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:12:14:19:16.17,21:20:19:16.17|
Show InChI InChI=1S/C26H34N2O5/c1-26(2,3)12-13-27-24(31)19-15-32-25(28-19)23-18(20-9-10-21(23)33-20)14-17-7-5-4-6-16(17)8-11-22(29)30/h4-7,15,18,20-21,23H,8-14H2,1-3H3,(H,27,31)(H,29,30)
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n/an/an/a 2.90n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047295
PNG
(3-{2-[3-(4-Isopropylcarbamoyl-oxazol-2-yl)-7-oxa-b...)
Show SMILES CC(C)NC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:9:11:16:13.14,18:17:16:13.14|
Show InChI InChI=1S/C23H28N2O5/c1-13(2)24-22(28)17-12-29-23(25-17)21-16(18-8-9-19(21)30-18)11-15-6-4-3-5-14(15)7-10-20(26)27/h3-6,12-13,16,18-19,21H,7-11H2,1-2H3,(H,24,28)(H,26,27)
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n/an/an/a 26n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047291
PNG
(3-(2-{3-[4-(6-Cyclohexyl-hexanoyl)-oxazol-2-yl]-7-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)CCCCCC1CCCCC1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C31H41NO5/c33-26(14-6-2-5-11-21-9-3-1-4-10-21)25-20-36-31(32-25)30-24(27-16-17-28(30)37-27)19-23-13-8-7-12-22(23)15-18-29(34)35/h7-8,12-13,20-21,24,27-28,30H,1-6,9-11,14-19H2,(H,34,35)
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n/an/an/a 0.0500n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047290
PNG
(3-{2-[3-(4-Decylcarbamoyl-oxazol-2-yl)-7-oxa-bicyc...)
Show SMILES CCCCCCCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:16:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C30H42N2O5/c1-2-3-4-5-6-7-8-11-18-31-29(35)24-20-36-30(32-24)28-23(25-15-16-26(28)37-25)19-22-13-10-9-12-21(22)14-17-27(33)34/h9-10,12-13,20,23,25-26,28H,2-8,11,14-19H2,1H3,(H,31,35)(H,33,34)
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n/an/an/a 5.80n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047292
PNG
(3-[2-(3-{4-[4-(4-Methylsulfanyl-phenyl)-butylcarba...)
Show SMILES CSc1ccc(CCCCNC(=O)c2coc(n2)C2C3CCC(O3)C2Cc2ccccc2CCC(O)=O)cc1 |THB:16:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C31H36N2O5S/c1-39-23-12-9-20(10-13-23)6-4-5-17-32-30(36)25-19-37-31(33-25)29-24(26-14-15-27(29)38-26)18-22-8-3-2-7-21(22)11-16-28(34)35/h2-3,7-10,12-13,19,24,26-27,29H,4-6,11,14-18H2,1H3,(H,32,36)(H,34,35)
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n/an/an/a 2.90n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047293
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)c1cccc(CCC2C3CCC(O3)C2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |TLB:9:10:15:13.12,THB:17:16:15:13.12|
Show InChI InChI=1S/C29H38N2O5/c32-27(30-16-5-4-9-19-7-2-1-3-8-19)23-18-35-28(31-23)26-22(24-14-15-25(26)36-24)13-12-20-10-6-11-21(17-20)29(33)34/h6,10-11,17-19,22,24-26H,1-5,7-9,12-16H2,(H,30,32)(H,33,34)
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n/an/an/a 18n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047298
PNG
(3-(2-{3-[4-(1,1-Dimethyl-propylcarbamoyl)-oxazol-2...)
Show SMILES CCC(C)(C)NC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:11:13:18:15.16,20:19:18:15.16|
Show InChI InChI=1S/C25H32N2O5/c1-4-25(2,3)27-23(30)18-14-31-24(26-18)22-17(19-10-11-20(22)32-19)13-16-8-6-5-7-15(16)9-12-21(28)29/h5-8,14,17,19-20,22H,4,9-13H2,1-3H3,(H,27,30)(H,28,29)
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n/an/an/a 0.800n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047294
PNG
(4-(2-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)CCCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCC1CCCCC1 |TLB:12:13:18:16.15,THB:20:19:18:16.15|
Show InChI InChI=1S/C31H42N2O5/c34-28(35)15-8-14-22-12-4-5-13-23(22)19-24-26-16-17-27(38-26)29(24)31-33-25(20-37-31)30(36)32-18-7-6-11-21-9-2-1-3-10-21/h4-5,12-13,20-21,24,26-27,29H,1-3,6-11,14-19H2,(H,32,36)(H,34,35)
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n/an/an/a 0.850n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047297
PNG
(3-{2-[3-(4-Cyclohexylcarbamoyl-oxazol-2-yl)-7-oxa-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NC1CCCCC1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C26H32N2O5/c29-23(30)13-10-16-6-4-5-7-17(16)14-19-21-11-12-22(33-21)24(19)26-28-20(15-32-26)25(31)27-18-8-2-1-3-9-18/h4-7,15,18-19,21-22,24H,1-3,8-14H2,(H,27,31)(H,29,30)
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n/an/an/a 4.5n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047299
PNG
(3-{2-[3-(4-Hept-6-ynylcarbamoyl-oxazol-2-yl)-7-oxa...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCCC#C |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C27H32N2O5/c1-2-3-4-5-8-15-28-26(32)21-17-33-27(29-21)25-20(22-12-13-23(25)34-22)16-19-10-7-6-9-18(19)11-14-24(30)31/h1,6-7,9-10,17,20,22-23,25H,3-5,8,11-16H2,(H,28,32)(H,30,31)
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n/an/an/a 4.70n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047300
PNG
(3-(2-{3-[4-(4-Phenyl-butylcarbamoyl)-oxazol-2-yl]-...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=O)NCCCCc1ccccc1 |THB:19:18:17:15.14,11:12:17:15.14|
Show InChI InChI=1S/C30H34N2O5/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-17-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,19,23,25-26,28H,6-7,10,13-18H2,(H,31,35)(H,33,34)
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n/an/an/a 0.300n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047302
PNG
(3-(2-{3-[4-(4-Cyclohexyl-butylthiocarbamoyl)-oxazo...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(co1)C(=S)NCCCCC1CCCCC1 |TLB:11:12:17:15.14,THB:19:18:17:15.14|
Show InChI InChI=1S/C30H40N2O4S/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(36-25)28(23)29-32-24(19-35-29)30(37)31-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,31,37)(H,33,34)
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n/an/an/a 11n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047301
PNG
(CHEMBL280786 | [3-(2-{3-[4-(4-Cyclohexyl-butylcarb...)
Show SMILES OC(=O)Cc1cccc(CCC2C3CCC(O3)C2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |TLB:10:11:16:14.13,THB:18:17:16:14.13|
Show InChI InChI=1S/C30H40N2O5/c33-27(34)18-22-11-6-10-21(17-22)12-13-23-25-14-15-26(37-25)28(23)30-32-24(19-36-30)29(35)31-16-5-4-9-20-7-2-1-3-8-20/h6,10-11,17,19-20,23,25-26,28H,1-5,7-9,12-16,18H2,(H,31,35)(H,33,34)
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n/an/an/a 16n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50047265
PNG
(3-(2-{3-[4-(5-Hydroxy-pentylcarbamoyl)-oxazol-2-yl...)
Show SMILES OCCCCCNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:12:14:19:16.17,21:20:19:16.17|
Show InChI InChI=1S/C25H32N2O6/c28-13-5-1-4-12-26-24(31)19-15-32-25(27-19)23-18(20-9-10-21(23)33-20)14-17-7-3-2-6-16(17)8-11-22(29)30/h2-3,6-7,15,18,20-21,23,28H,1,4-5,8-14H2,(H,26,31)(H,29,30)
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n/an/an/a 20n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair