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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'halushka' and Initial = 'pv'   
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))
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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4.70n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81948
PNG
(CAS_89617-02-7 | ONO 11,113 | ONO-11113 | STA2)
Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](S2)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(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-/m0/s1
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17n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81949
PNG
(9,11-AzoPGH2 | 9,11-azo PGH2 | J389.306E | PGH2, 9...)
Show SMILES CCCCC[C@H](O)CC[C@@H]1[C@@H](CC=CCCCC(O)=O)c2cc1n[nH]2 |w:12.11,TLB:11:10:21:23.24,THB:8:9:21:23.24|
Show InChI InChI=1S/C20H32N2O3/c1-2-3-6-9-15(23)12-13-17-16(18-14-19(17)22-21-18)10-7-4-5-8-11-20(24)25/h4,7,14-17,23H,2-3,5-6,8-13H2,1H3,(H,21,22)(H,24,25)/b7-4-/t15-,16+,17+/m0/s1
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41n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
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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62n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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424n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 251: 557-62 (1989)


BindingDB Entry DOI: 10.7270/Q24Q7SGJ
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.


J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81947
PNG
(CAS_113243-00-8 | L-657926)
Show SMILES OC(=O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 |r|
Show InChI InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)/t14-/m0/s1
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n/an/a 11.2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.


J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50452544
PNG
(CHEMBL2448578)
Show SMILES [H][C@]12CC[C@@]([H])(O1)[C@H](C\C=C/CCCC(O)=O)[C@@H]2CNNC(=O)Nc1ccccc1 |r,THB:18:17:6:2.3|
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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n/an/a 36n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand


J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM82512
PNG
(CAS_128719-90-4 | I-BOP)
Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15|
Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2 receptor/Prostaglandin receptor in human platelet membranes using [125I]- as the radioligand


J Med Chem 34: 1511-4 (1991)


BindingDB Entry DOI: 10.7270/Q2B56KB7
More data for this
Ligand-Target Pair