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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'harris' and Initial = 'dn'   
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))
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81997
PNG
(CAS_114865 | NSC_114865 | U44069)
Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O |w:7.6,17.18,TLB:16:15:14:12.11,THB:8:9:14:12.11|
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
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4.40n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002805
PNG
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)
Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
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5.43n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81997
PNG
(CAS_114865 | NSC_114865 | U44069)
Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O |w:7.6,17.18,TLB:16:15:14:12.11,THB:8:9:14:12.11|
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
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7.10n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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7.34n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002805
PNG
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)
Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
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11.3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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18.7n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19|
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
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28.3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81999
PNG
(CAS_3036123 | NSC_3036123 | SQ 28668)
Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1 |w:4.3,14.15,TLB:5:6:8.9:11,THB:13:12:8.9:11|
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)
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31.8n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19|
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
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49.6n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81999
PNG
(CAS_3036123 | NSC_3036123 | SQ 28668)
Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1 |w:4.3,14.15,TLB:5:6:8.9:11,THB:13:12:8.9:11|
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)
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72.7n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002765
PNG
(BM 13177 | BM-13177 | CHEMBL8273 | Sulotroban | [4...)
Show SMILES OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
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1.40E+3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281919
PNG
(3-(2-{2-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-...)
Show SMILES OC(=O)CCc1ccccc1CC1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1
Show InChI InChI=1S/C29H40N2O4/c32-27(33)17-16-22-12-4-5-13-23(22)19-24-14-8-15-25(24)29-31-26(20-35-29)28(34)30-18-7-6-11-21-9-2-1-3-10-21/h4-5,12-13,20-21,24-25H,1-3,6-11,14-19H2,(H,30,34)(H,32,33)/t24?,25-/m1/s1
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n/an/an/a 4.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined for Thromboxane A2 receptor in human platelet membrane using [3H]-SQ-29,548 radioligand


Bioorg Med Chem Lett 3: 1267-1270 (1993)


Article DOI: 10.1016/S0960-894X(00)80329-7
BindingDB Entry DOI: 10.7270/Q2PV6K8B
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281920
PNG
(3-(2-{3-[4-(4-Chloro-benzylcarbamoyl)-oxazol-2-yl]...)
Show SMILES C\C(Cc1ccccc1CCC(O)=O)=C(/C)c1nc(co1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4/c1-17(15-21-6-4-3-5-20(21)9-12-24(30)31)18(2)26-29-23(16-33-26)25(32)28-14-13-19-7-10-22(27)11-8-19/h3-8,10-11,16H,9,12-15H2,1-2H3,(H,28,32)(H,30,31)/b18-17-
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n/an/an/a 37n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined for Thromboxane A2 receptor in human platelet membrane using [3H]-SQ-29,548 radioligand


Bioorg Med Chem Lett 3: 1267-1270 (1993)


Article DOI: 10.1016/S0960-894X(00)80329-7
BindingDB Entry DOI: 10.7270/Q2PV6K8B
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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50405907
PNG
(CHEMBL2096756)
Show SMILES CC\C=C/CCSCC1C2CCC(O2)C1C\C=C/CCCC(O)=O |THB:7:8:13:10.11,15:14:13:10.11|
Show InChI InChI=1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h3-5,7,16-19H,2,6,8-15H2,1H3,(H,21,22)/b4-3-,7-5-
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n/an/an/a 0.400n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of specific binding of HSQ (5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(RAT)
BDBM50212318
PNG
(BMS-180291 | Ifetroban)
Show SMILES CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1Cc1ccccc1CCC(O)=O |TLB:20:19:18:16.15,THB:11:13:18:16.15|
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)/t18-,20-,21+,23-/m0/s1
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n/an/an/a 4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SQ 29,548 radioligand binding to thromboxane A2 (TXA2) receptor of human platelet membranes


Bioorg Med Chem Lett 2: 73-76 (1992)


Article DOI: 10.1016/S0960-894X(00)80658-7
BindingDB Entry DOI: 10.7270/Q25T3KCJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281921
PNG
(3-[2-(5-{4-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1OCOC1c1nc(co1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O6/c26-19-8-5-16(6-9-19)11-12-27-24(31)20-14-32-25(28-20)23-21(33-15-34-23)13-18-4-2-1-3-17(18)7-10-22(29)30/h1-6,8-9,14,21,23H,7,10-13,15H2,(H,27,31)(H,29,30)
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n/an/an/a 31.1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281921
PNG
(3-[2-(5-{4-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1OCOC1c1nc(co1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O6/c26-19-8-5-16(6-9-19)11-12-27-24(31)20-14-32-25(28-20)23-21(33-15-34-23)13-18-4-2-1-3-17(18)7-10-22(29)30/h1-6,8-9,14,21,23H,7,10-13,15H2,(H,27,31)(H,29,30)
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n/an/an/a 45n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281921
PNG
(3-[2-(5-{4-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1OCOC1c1nc(co1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O6/c26-19-8-5-16(6-9-19)11-12-27-24(31)20-14-32-25(28-20)23-21(33-15-34-23)13-18-4-2-1-3-17(18)7-10-22(29)30/h1-6,8-9,14,21,23H,7,10-13,15H2,(H,27,31)(H,29,30)
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n/an/an/a 45n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against TXA2/PGH2 receptor using [3H]-SQ 29,548 as radioligand in human platelet membrane preparation


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
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



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against TXA2/PGH2 receptor using [3H]-SQ 29,548 as radioligand in human platelet membrane preparation


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50281922
PNG
(3-[2-(4-{4-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-ox...)
Show SMILES OC(=O)CCc1ccccc1CC1COCOC1c1nc(co1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O6/c27-21-8-5-17(6-9-21)11-12-28-25(32)22-15-34-26(29-22)24-20(14-33-16-35-24)13-19-4-2-1-3-18(19)7-10-23(30)31/h1-6,8-9,15,20,24H,7,10-14,16H2,(H,28,32)(H,30,31)
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n/an/an/a 8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548


Bioorg Med Chem Lett 3: 1271-1276 (1993)


Article DOI: 10.1016/S0960-894X(00)80330-3
BindingDB Entry DOI: 10.7270/Q2K35TJX
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015849
PNG
(7-{3-[(2-Octanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:22:21:20:17.18,14:15:20:17.18|
Show InChI InChI=1S/C24H40N2O5/c1-2-3-4-5-9-12-22(27)26-17-23(28)25-16-19-18(20-14-15-21(19)31-20)11-8-6-7-10-13-24(29)30/h6,8,18-21H,2-5,7,9-17H2,1H3,(H,25,28)(H,26,27)(H,29,30)/b8-6+
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n/an/an/a 49.6n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50405920
PNG
(CHEMBL176714 | CHEMBL3349042)
Show SMILES CCCCCCSC[C@H]1C2CC[C@@H](O2)[C@H]1C\C=C/CCCC(O)=O |r,THB:7:8:13:10.11,15:14:13:10.11|
Show InChI InChI=1S/C21H36O3S/c1-2-3-4-7-10-15-25-16-18-17(19-13-14-20(18)24-19)11-8-5-6-9-12-21(22)23/h5,8,17-20H,2-4,6-7,9-16H2,1H3,(H,22,23)/b8-5-
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n/an/an/a 1.60n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of specific binding of HSQ (5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010072
PNG
(CHEMBL318673 | [3-(5-oxabicyclo[2.2.1],3-formaldeh...)
Show SMILES OC(=O)COc1cccc(CC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1 |w:19.21,THB:18:17:16:14.13|
Show InChI InChI=1S/C23H25N3O5/c27-22(28)14-30-17-8-4-5-15(11-17)12-18-19(21-10-9-20(18)31-21)13-24-26-23(29)25-16-6-2-1-3-7-16/h1-8,11,13,18-21H,9-10,12,14H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010073
PNG
(3-(2-{3-[(E)-Phenylcarbamoylmethylimino-amino]-7-o...)
Show SMILES OC(=O)CCc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1 |w:20.23,THB:19:18:17:15.14|
Show InChI InChI=1S/C24H27N3O4/c28-23(29)13-10-16-6-4-5-7-17(16)14-19-20(22-12-11-21(19)31-22)15-25-27-24(30)26-18-8-2-1-3-9-18/h1-9,15,19-22H,10-14H2,(H,28,29)(H2,26,27,30)
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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
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010074
PNG
(CHEMBL99041 | [3-(5-oxabicyclo[2.2.1],3-formaldehy...)
Show SMILES OC(=O)Cc1cccc(CC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1 |w:18.20,THB:17:16:15:13.12|
Show InChI InChI=1S/C23H25N3O4/c27-22(28)13-16-6-4-5-15(11-16)12-18-19(21-10-9-20(18)30-21)14-24-26-23(29)25-17-7-2-1-3-8-17/h1-8,11,14,18-21H,9-10,12-13H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 171n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010077
PNG
(4-[2-(5-oxabicyclo[2.2.1],3-formaldehyde (anilinoc...)
Show SMILES OC(=O)CCCc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1 |w:21.24,THB:20:19:18:16.15|
Show InChI InChI=1S/C25H29N3O4/c29-24(30)12-6-9-17-7-4-5-8-18(17)15-20-21(23-14-13-22(20)32-23)16-26-28-25(31)27-19-10-2-1-3-11-19/h1-5,7-8,10-11,16,20-23H,6,9,12-15H2,(H,29,30)(H2,27,28,31)
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n/an/an/a 21n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010076
PNG
(CHEMBL99348 | {3-[2-(5-oxabicyclo[2.2.1],3-formald...)
Show SMILES OC(=O)Cc1cccc(CCC2C3CCC(O3)C2C=NNC(=O)Nc2ccccc2)c1 |w:19.21,THB:18:17:16:14.13|
Show InChI InChI=1S/C24H27N3O4/c28-23(29)14-17-6-4-5-16(13-17)9-10-19-20(22-12-11-21(19)31-22)15-25-27-24(30)26-18-7-2-1-3-8-18/h1-8,13,15,19-22H,9-12,14H2,(H,28,29)(H2,26,27,30)
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n/an/an/a 1.07E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010075
PNG
((5Z)-7-(5-oxabicyclo[2.2.1],3-formaldehyde (anilin...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1 |w:17.19,THB:8:9:14:12.11,16:15:14:12.11|
Show InChI InChI=1S/C21H27N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,14,16-19H,2,7,10-13H2,(H,25,26)(H2,23,24,27)/b6-1-,22-14?
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n/an/an/a 39n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50010078
PNG
(CHEMBL95884 | [2-(5-oxabicyclo[2.2.1],3-formaldehy...)
Show SMILES OC(=O)COc1ccccc1CC1C2CCC(O2)C1C=NNC(=O)Nc1ccccc1 |w:20.23,THB:11:12:17:15.14,19:18:17:15.14|
Show InChI InChI=1S/C23H25N3O5/c27-22(28)14-30-19-9-5-4-6-15(19)12-17-18(21-11-10-20(17)31-21)13-24-26-23(29)25-16-7-2-1-3-8-16/h1-9,13,17-18,20-21H,10-12,14H2,(H,27,28)(H2,25,26,29)
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n/an/an/a 6n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes


J Med Chem 34: 2882-91 (1991)


BindingDB Entry DOI: 10.7270/Q2CJ8CFZ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50016779
PNG
(7-(3-Propylsulfanylmethyl-7-oxa-bicyclo[2.2.1]hept...)
Show SMILES CCCSCC1C2CCC(O2)C1C\C=C/CCCC(O)=O |THB:4:5:10:7.8,12:11:10:7.8|
Show InChI InChI=1S/C17H28O3S/c1-2-11-21-12-14-13(15-9-10-16(14)20-15)7-5-3-4-6-8-17(18)19/h3,5,13-16H,2,4,6-12H2,1H3,(H,18,19)/b5-3-
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n/an/an/a 97n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50016780
PNG
(7-(3-But-3-enylsulfanylmethyl-7-oxa-bicyclo[2.2.1]...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1CSCCC=C |THB:16:15:14:12.11,8:9:14:12.11|
Show InChI InChI=1S/C18H28O3S/c1-2-3-12-22-13-15-14(16-10-11-17(15)21-16)8-6-4-5-7-9-18(19)20/h2,4,6,14-17H,1,3,5,7-13H2,(H,19,20)/b6-4-
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n/an/an/a 49n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50016783
PNG
(7-(3-Allylsulfanylmethyl-7-oxa-bicyclo[2.2.1]hept-...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1CSCC=C |THB:16:15:14:12.11,8:9:14:12.11|
Show InChI InChI=1S/C17H26O3S/c1-2-11-21-12-14-13(15-9-10-16(14)20-15)7-5-3-4-6-8-17(18)19/h2-3,5,13-16H,1,4,6-12H2,(H,18,19)/b5-3-
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n/an/an/a 76n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015847
PNG
(7-(3-{[2-(5-Cyclohexyl-pentanoylamino)-acetylamino...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCCC1CCCCC1 |THB:8:9:14:12.11,16:15:14:12.11|
Show InChI InChI=1S/C27H44N2O5/c30-25(14-9-8-12-20-10-4-3-5-11-20)29-19-26(31)28-18-22-21(23-16-17-24(22)34-23)13-6-1-2-7-15-27(32)33/h1,6,20-24H,2-5,7-19H2,(H,28,31)(H,29,30)(H,32,33)/b6-1+
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n/an/an/a 2.60n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015848
PNG
(7-{3-[(2-Heptanethioylamino-acetylamino)-methyl]-7...)
Show SMILES CCCCCCC(=S)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:21:20:19:16.17,13:14:19:16.17|
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-4-8-11-22(30)25-16-21(26)24-15-18-17(19-13-14-20(18)29-19)10-7-5-6-9-12-23(27)28/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,26)(H,25,30)(H,27,28)/b7-5+
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n/an/an/a 12n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015849
PNG
(7-{3-[(2-Octanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:22:21:20:17.18,14:15:20:17.18|
Show InChI InChI=1S/C24H40N2O5/c1-2-3-4-5-9-12-22(27)26-17-23(28)25-16-19-18(20-14-15-21(19)31-20)11-8-6-7-10-13-24(29)30/h6,8,18-21H,2-5,7,9-17H2,1H3,(H,25,28)(H,26,27)(H,29,30)/b8-6+
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n/an/an/a 50n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015850
PNG
(7-(3-{[2-(2-Phenylsulfanyl-acetylamino)-acetylamin...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CSc1ccccc1 |THB:16:15:14:12.11,8:9:14:12.11|
Show InChI InChI=1S/C24H32N2O5S/c27-22(15-26-23(28)16-32-17-8-4-3-5-9-17)25-14-19-18(20-12-13-21(19)31-20)10-6-1-2-7-11-24(29)30/h1,3-6,8-9,18-21H,2,7,10-16H2,(H,25,27)(H,26,28)(H,29,30)/b6-1+
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n/an/an/a 41n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015852
PNG
(7-{3-[(2-Nonanoylamino-acetylamino)-methyl]-7-oxa-...)
Show SMILES CCCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C\C=C\CCCC(O)=O |THB:23:22:21:18.19,15:16:21:18.19|
Show InChI InChI=1S/C25H42N2O5/c1-2-3-4-5-6-10-13-23(28)27-18-24(29)26-17-20-19(21-15-16-22(20)32-21)12-9-7-8-11-14-25(30)31/h7,9,19-22H,2-6,8,10-18H2,1H3,(H,26,29)(H,27,28)(H,30,31)/b9-7+
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n/an/an/a 8.30n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015851
PNG
(7-[3-({2-[2-(4-tert-Butyl-phenylsulfanyl)-acetylam...)
Show SMILES CC(C)(C)c1ccc(SCC(=O)NCC(=O)NCC2C3CCC(O3)C2C\C=C\CCCC(O)=O)cc1 |THB:17:18:23:20.21,25:24:23:20.21|
Show InChI InChI=1S/C28H40N2O5S/c1-28(2,3)19-10-12-20(13-11-19)36-18-26(32)30-17-25(31)29-16-22-21(23-14-15-24(22)35-23)8-6-4-5-7-9-27(33)34/h4,6,10-13,21-24H,5,7-9,14-18H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/b6-4+
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n/an/an/a 4.20n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015853
PNG
(7-(3-{[2-(4-Cyclohexyl-butyrylamino)-acetylamino]-...)
Show SMILES OC(=O)CCC\C=C\CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCC1CCCCC1 |THB:8:9:14:12.11,16:15:14:12.11|
Show InChI InChI=1S/C26H42N2O5/c29-24(13-8-11-19-9-4-3-5-10-19)28-18-25(30)27-17-21-20(22-15-16-23(21)33-22)12-6-1-2-7-14-26(31)32/h1,6,19-23H,2-5,7-18H2,(H,27,30)(H,28,29)(H,31,32)/b6-1+
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n/an/an/a 1.10n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50015854
PNG
(7-{3-[(2-Heptanethioylamino-thioacetylamino)-methy...)
Show SMILES CCCCCCC(=S)NCC(=S)NCC1C2CC[C@@H](O2)C1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C23H38N2O3S2/c1-2-3-4-8-11-21(29)25-16-22(30)24-15-18-17(19-13-14-20(18)28-19)10-7-5-6-9-12-23(26)27/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,30)(H,25,29)(H,26,27)/b7-5+/t17?,18?,19-,20?/m1/s1
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n/an/an/a 26n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.


J Med Chem 33: 2465-76 (1990)


BindingDB Entry DOI: 10.7270/Q2V123S1
More data for this
Ligand-Target Pair
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))
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
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
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