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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'tokumoto' and Initial = 'h'   
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
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50095207
PNG
(CHEMBL430154 | [6-(4-Benzhydryl-pyrazol-1-ylmethyl...)
Show SMILES OC(=O)COc1cccc2C=C(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12 |t:10|
Show InChI InChI=1S/C29H26N2O3/c32-28(33)20-34-27-13-7-12-24-16-21(14-15-26(24)27)18-31-19-25(17-30-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,16-17,19,29H,14-15,18,20H2,(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...


Bioorg Med Chem Lett 5: 1083-1086 (1995)


Article DOI: 10.1016/0960-894X(95)00170-X
BindingDB Entry DOI: 10.7270/Q22807KH
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284372
PNG
(CHEMBL11211 | {5-[2-(N',N'-Diphenyl-hydrazinocarbo...)
Show SMILES OC(=O)COc1cccc2C(CCC(=O)NN(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C27H28N2O4/c30-26(28-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22)18-17-20-9-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-6,8,10-14,16,20H,7,9,15,17-19H2,(H,28,30)(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284377
PNG
(CHEMBL11746 | {5-[2-(4-Benzhydryl-pyrazol-1-yl)-et...)
Show SMILES OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C30H30N2O3/c33-29(34)21-35-28-16-8-14-26-22(13-7-15-27(26)28)17-18-32-20-25(19-31-32)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,8-12,14,16,19-20,22,30H,7,13,15,17-18,21H2,(H,33,34)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...


Bioorg Med Chem Lett 5: 1083-1086 (1995)


Article DOI: 10.1016/0960-894X(95)00170-X
BindingDB Entry DOI: 10.7270/Q22807KH
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284370
PNG
(CHEMBL10836 | [6-(N',N'-Diphenyl-hydrazinocarbonyl...)
Show SMILES OC(=O)COc1cccc2CC(CC(=O)NN(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H26N2O4/c29-25(27-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)17-19-14-15-23-20(16-19)8-7-13-24(23)32-18-26(30)31/h1-13,19H,14-18H2,(H,27,29)(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM23954
PNG
(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284378
PNG
(CHEMBL11765 | [6-(4-Benzhydryl-pyrazol-1-ylmethyl)...)
Show SMILES OC(=O)COc1cccc2CC(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C29H28N2O3/c32-28(33)20-34-27-13-7-12-24-16-21(14-15-26(24)27)18-31-19-25(17-30-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,17,19,21,29H,14-16,18,20H2,(H,32,33)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...


Bioorg Med Chem Lett 5: 1083-1086 (1995)


Article DOI: 10.1016/0960-894X(95)00170-X
BindingDB Entry DOI: 10.7270/Q22807KH
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50095205
PNG
((6-{2-[(E)-Benzhydryloxyimino]-pentyl}-5,6,7,8-tet...)
Show SMILES CCC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33NO4/c1-2-10-26(31-35-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24)20-22-17-18-27-25(19-22)15-9-16-28(27)34-21-29(32)33/h3-9,11-16,22,30H,2,10,17-21H2,1H3,(H,32,33)/b31-26+
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284366
PNG
((6-{2-[(E)-Benzhydryloxyimino]-butyl}-5,6,7,8-tetr...)
Show SMILES CC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO4/c1-2-25(30-34-29(22-10-5-3-6-11-22)23-12-7-4-8-13-23)19-21-16-17-26-24(18-21)14-9-15-27(26)33-20-28(31)32/h3-15,21,29H,2,16-20H2,1H3,(H,31,32)/b30-25+
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284371
PNG
(CHEMBL11291 | [5-(2-Benzhydrylideneaminooxy-ethyl)...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6](-[#6]-[#6]-[#8]\[#7]=[#6](/c3ccccc3)-c3ccccc3)-[#6]-[#6]-[#6]-c12
Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-16-8-14-23-20(13-7-15-24(23)25)17-18-32-28-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-12,14,16,20H,7,13,15,17-19H2,(H,29,30)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284367
PNG
(((S)-6-{2-[(E)-Benzhydryloxyimino]-propyl}-5,6,7,8...)
Show SMILES C\C(C[C@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO4/c1-20(29-33-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23)17-21-15-16-25-24(18-21)13-8-14-26(25)32-19-27(30)31/h2-14,21,28H,15-19H2,1H3,(H,30,31)/b29-20+/t21-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284363
PNG
(((R)-6-{2-[(E)-Benzhydryloxyimino]-propyl}-5,6,7,8...)
Show SMILES C\C(C[C@@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO4/c1-20(29-33-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23)17-21-15-16-25-24(18-21)13-8-14-26(25)32-19-27(30)31/h2-14,21,28H,15-19H2,1H3,(H,30,31)/b29-20+/t21-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284374
PNG
(CHEMBL266622 | [5-(3-Benzhydryloxy-propyl)-5,6,7,8...)
Show SMILES OC(=O)COc1cccc2C(CCCOC(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C28H30O4/c29-27(30)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-31-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18,21,28H,7,9,14-15,17,19-20H2,(H,29,30)
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n/an/a 460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284355
PNG
(CHEMBL10470 | [5-(3-Benzhydryloxyimino-propyl)-5,6...)
Show SMILES OC(=O)COc1cccc2C(CC\C=N\OC(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C28H29NO4/c30-27(31)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-29-33-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18-19,21,28H,7,9,14-15,17,20H2,(H,30,31)/b29-19+
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284355
PNG
(CHEMBL10470 | [5-(3-Benzhydryloxyimino-propyl)-5,6...)
Show SMILES OC(=O)COc1cccc2C(CC\C=N\OC(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C28H29NO4/c30-27(31)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-29-33-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18-19,21,28H,7,9,14-15,17,20H2,(H,30,31)/b29-19+
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284360
PNG
(CHEMBL10742 | [6-(2-Benzhydryloxyimino-ethyl)-5,6,...)
Show SMILES OC(=O)COc1cccc2CC(C\C=N\OC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-28-32-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,17,20,27H,14-16,18-19H2,(H,29,30)/b28-17+
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284360
PNG
(CHEMBL10742 | [6-(2-Benzhydryloxyimino-ethyl)-5,6,...)
Show SMILES OC(=O)COc1cccc2CC(C\C=N\OC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C27H27NO4/c29-26(30)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-28-32-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,17,20,27H,14-16,18-19H2,(H,29,30)/b28-17+
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50101853
PNG
((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284376
PNG
(CHEMBL11480 | {5-[2-(4-Benzhydryl-pyrazol-1-yl)-et...)
Show SMILES OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)=CCCc12 |c:33|
Show InChI InChI=1S/C30H28N2O3/c33-29(34)21-35-28-16-8-14-26-22(13-7-15-27(26)28)17-18-32-20-25(19-31-32)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,8-14,16,19-20,30H,7,15,17-18,21H2,(H,33,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost f...


Bioorg Med Chem Lett 5: 1083-1086 (1995)


Article DOI: 10.1016/0960-894X(95)00170-X
BindingDB Entry DOI: 10.7270/Q22807KH
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284365
PNG
((5-{3-[(E)-Benzhydryloxyimino]-hexyl}-5,6,7,8-tetr...)
Show SMILES CCC\C(CCC1CCCc2c(OCC(O)=O)cccc12)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35NO4/c1-2-11-26(32-36-31(24-12-5-3-6-13-24)25-14-7-4-8-15-25)21-20-23-16-9-18-28-27(23)17-10-19-29(28)35-22-30(33)34/h3-8,10,12-15,17,19,23,31H,2,9,11,16,18,20-22H2,1H3,(H,33,34)/b32-26+
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284363
PNG
(((R)-6-{2-[(E)-Benzhydryloxyimino]-propyl}-5,6,7,8...)
Show SMILES C\C(C[C@@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29NO4/c1-20(29-33-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23)17-21-15-16-25-24(18-21)13-8-14-26(25)32-19-27(30)31/h2-14,21,28H,15-19H2,1H3,(H,30,31)/b29-20+/t21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284368
PNG
((6-Benzhydrylideneaminooxymethyl-5,6,7,8-tetrahydr...)
Show SMILES [#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6]-[#6](-[#6]-[#8]\[#7]=[#6](\c3ccccc3)-c3ccccc3)-[#6]-[#6]-c12
Show InChI InChI=1S/C26H25NO4/c28-25(29)18-30-24-13-7-12-22-16-19(14-15-23(22)24)17-31-27-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19H,14-18H2,(H,28,29)
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284353
PNG
(CHEMBL10442 | [6-((Z)-5,5-Diphenyl-pent-2-enyl)-5,...)
Show SMILES OC(=O)COc1cccc2CC(C\C=C/CC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C29H30O3/c30-29(31)21-32-28-17-9-15-25-20-22(18-19-27(25)28)10-7-8-16-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-9,11-15,17,22,26H,10,16,18-21H2,(H,30,31)/b8-7-
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50047491
PNG
(CHEMBL11811 | Sodium; (E)-2-methyl-3-(4-pyridin-3-...)
Show SMILES C\C(=C/c1ccc(Cc2cccnc2)cc1)C([O-])=O
Show InChI InChI=1S/C16H15NO2/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15/h2-9,11H,10H2,1H3,(H,18,19)/p-1/b12-9+
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284358
PNG
(CHEMBL10856 | [6-((E)-5,5-Diphenyl-pent-2-enyl)-5,...)
Show SMILES OC(=O)COc1cccc2CC(C\C=C\CC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C29H30O3/c30-29(31)21-32-28-17-9-15-25-20-22(18-19-27(25)28)10-7-8-16-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-9,11-15,17,22,26H,10,16,18-21H2,(H,30,31)/b8-7+
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284357
PNG
(CHEMBL10261 | [3-(4-Benzhydryloxyimino-butyl)-phen...)
Show SMILES OC(=O)COc1cccc(CCC\C=N\OC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C25H25NO4/c27-24(28)19-29-23-16-9-11-20(18-23)10-7-8-17-26-30-25(21-12-3-1-4-13-21)22-14-5-2-6-15-22/h1-6,9,11-18,25H,7-8,10,19H2,(H,27,28)/b26-17+
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284369
PNG
(CHEMBL11571 | [5-(4-Benzhydryloxy-butyl)-5,6,7,8-t...)
Show SMILES OC(=O)COc1cccc2C(CCCCOC(c3ccccc3)c3ccccc3)CCCc12
Show InChI InChI=1S/C29H32O4/c30-28(31)21-33-27-19-10-17-25-22(16-9-18-26(25)27)11-7-8-20-32-29(23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-6,10,12-15,17,19,22,29H,7-9,11,16,18,20-21H2,(H,30,31)
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284361
PNG
(CHEMBL10564 | [6-((E)-4-Hydroxy-5-phenyl-pent-2-en...)
Show SMILES OC(Cc1ccccc1)\C=C\CC1CCc2c(C1)cccc2OCC(O)=O
Show InChI InChI=1S/C23H26O4/c24-20(15-17-6-2-1-3-7-17)10-4-8-18-12-13-21-19(14-18)9-5-11-22(21)27-16-23(25)26/h1-7,9-11,18,20,24H,8,12-16H2,(H,25,26)/b10-4+
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284362
PNG
(CHEMBL275493 | [6-((E)-5-Phenyl-pent-2-enyl)-5,6,7...)
Show SMILES OC(=O)COc1cccc2CC(C\C=C\CCc3ccccc3)CCc12
Show InChI InChI=1S/C23H26O3/c24-23(25)17-26-22-13-7-12-20-16-19(14-15-21(20)22)11-6-2-5-10-18-8-3-1-4-9-18/h1-4,6-9,12-13,19H,5,10-11,14-17H2,(H,24,25)/b6-2+
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n/an/a 5.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284364
PNG
((6-{2-[(E)-Benzyloxyimino]-propyl}-5,6,7,8-tetrahy...)
Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OCc1ccccc1
Show InChI InChI=1S/C22H25NO4/c1-16(23-27-14-17-6-3-2-4-7-17)12-18-10-11-20-19(13-18)8-5-9-21(20)26-15-22(24)25/h2-9,18H,10-15H2,1H3,(H,24,25)/b23-16+
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n/an/a 5.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-iloprost from Prostaglandin I2 receptor of human platelets


Bioorg Med Chem Lett 5: 1071-1076 (1995)


Article DOI: 10.1016/0960-894X(95)00168-S
BindingDB Entry DOI: 10.7270/Q29P31MX
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284354
PNG
(CHEMBL10740 | [6-((E)-4-Hydroxy-non-2-enyl)-5,6,7,...)
Show SMILES CCCCCC(O)\C=C\CC1CCc2c(C1)cccc2OCC(O)=O
Show InChI InChI=1S/C21H30O4/c1-2-3-4-9-18(22)10-5-7-16-12-13-19-17(14-16)8-6-11-20(19)25-15-21(23)24/h5-6,8,10-11,16,18,22H,2-4,7,9,12-15H2,1H3,(H,23,24)/b10-5+
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n/an/a 7.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284373
PNG
(CHEMBL274393 | [6-(2-Benzhydryloxy-ethyl)-5,6,7,8-...)
Show SMILES OC(=O)COc1cccc2CC(CCOC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C27H28O4/c28-26(29)19-31-25-13-7-12-23-18-20(14-15-24(23)25)16-17-30-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,27H,14-19H2,(H,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284359
PNG
(CHEMBL10439 | [5-((E)-5-Hydroxy-dec-3-enyl)-5,6,7,...)
Show SMILES CCCCCC(O)\C=C\CCC1CCCc2c(OCC(O)=O)cccc12
Show InChI InChI=1S/C22H32O4/c1-2-3-4-11-18(23)12-6-5-9-17-10-7-14-20-19(17)13-8-15-21(20)26-16-22(24)25/h6,8,12-13,15,17-18,23H,2-5,7,9-11,14,16H2,1H3,(H,24,25)/b12-6+
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n/an/a 9.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284375
PNG
(CHEMBL11394 | [6-(3-Benzhydryloxy-propyl)-5,6,7,8-...)
Show SMILES OC(=O)COc1cccc2CC(CCCOC(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C28H30O4/c29-27(30)20-32-26-15-7-14-24-19-21(16-17-25(24)26)9-8-18-31-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-7,10-15,21,28H,8-9,16-20H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]-iloprost from human platelets using conventional ligand binding assay


Bioorg Med Chem Lett 5: 1077-1082 (1995)


Article DOI: 10.1016/0960-894X(95)00169-T
BindingDB Entry DOI: 10.7270/Q261108S
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284384
PNG
((6-{2-[(E)-Phenyl-pyridin-3-yl-methoxyimino]-propy...)
Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-7-3-2-4-8-21)23-10-6-14-28-17-23)15-20-12-13-24-22(16-20)9-5-11-25(24)32-18-26(30)31/h2-11,14,17,20,27H,12-13,15-16,18H2,1H3,(H,30,31)/b29-19+
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50284356
PNG
(CHEMBL10404 | [3-((E)-6-Hydroxy-undec-4-enyl)-phen...)
Show SMILES CCCCCC(O)\C=C\CCCc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C19H28O4/c1-2-3-5-11-17(20)12-7-4-6-9-16-10-8-13-18(14-16)23-15-19(21)22/h7-8,10,12-14,17,20H,2-6,9,11,15H2,1H3,(H,21,22)/b12-7+
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NCI pathway
Reactome pathway
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Prostaglandin I2 receptor binding by displacement of [3H]-iloprost from human platelets


Bioorg Med Chem Lett 5: 1065-1070 (1995)


Article DOI: 10.1016/0960-894X(95)00167-R
BindingDB Entry DOI: 10.7270/Q2FF3S9T
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284382
PNG
((5-{2-[1-Phenyl-1-pyridin-3-yl-meth-(E)-ylideneami...)
Show SMILES OC(=O)COc1cccc2C(CCO\N=C(/c3ccccc3)c3cccnc3)CCCc12
Show InChI InChI=1S/C26H26N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-8,10-11,13,15,17,19H,4,9,12,14,16,18H2,(H,29,30)/b28-26+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284381
PNG
((6-{2-[(E)-Phenyl-pyridin-3-yl-methoxyimino]-penty...)
Show SMILES CCC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H32N2O4/c1-2-8-25(31-35-29(22-9-4-3-5-10-22)24-12-7-16-30-19-24)18-21-14-15-26-23(17-21)11-6-13-27(26)34-20-28(32)33/h3-7,9-13,16,19,21,29H,2,8,14-15,17-18,20H2,1H3,(H,32,33)/b31-25+
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n/an/a 8.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284380
PNG
((6-{2-[(E)-Phenyl-pyridin-4-yl-methoxyimino]-propy...)
Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-6-3-2-4-7-21)22-12-14-28-15-13-22)16-20-10-11-24-23(17-20)8-5-9-25(24)32-18-26(30)31/h2-9,12-15,20,27H,10-11,16-18H2,1H3,(H,30,31)/b29-19+
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n/an/a 2.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284385
PNG
(CHEMBL11779 | {6-[4-(Phenyl-pyridin-3-yl-methyl)-p...)
Show SMILES OC(=O)COc1cccc2CC(Cn3cc(cn3)C(c3ccccc3)c3cccnc3)CCc12
Show InChI InChI=1S/C28H27N3O3/c32-27(33)19-34-26-10-4-8-22-14-20(11-12-25(22)26)17-31-18-24(16-30-31)28(21-6-2-1-3-7-21)23-9-5-13-29-15-23/h1-10,13,15-16,18,20,28H,11-12,14,17,19H2,(H,32,33)
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n/an/a 3.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284383
PNG
(CHEMBL11407 | {5-[2-(N'-Phenyl-N'-pyridin-3-yl-hyd...)
Show SMILES OC(=O)COc1cccc2C(CCC(=O)NN(c3ccccc3)c3cccnc3)CCCc12
Show InChI InChI=1S/C26H27N3O4/c30-25(28-29(20-8-2-1-3-9-20)21-10-6-16-27-17-21)15-14-19-7-4-12-23-22(19)11-5-13-24(23)33-18-26(31)32/h1-3,5-6,8-11,13,16-17,19H,4,7,12,14-15,18H2,(H,28,30)(H,31,32)
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n/an/a 9.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50284379
PNG
((6-{2-[(E)-Phenyl-pyridin-2-yl-methoxyimino]-propy...)
Show SMILES C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C27H28N2O4/c1-19(29-33-27(21-8-3-2-4-9-21)24-11-5-6-15-28-24)16-20-13-14-23-22(17-20)10-7-12-25(23)32-18-26(30)31/h2-12,15,20,27H,13-14,16-18H2,1H3,(H,30,31)/b29-19+
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane A2 synthase in human platelet microsome


Bioorg Med Chem Lett 5: 1087-1090 (1995)


Article DOI: 10.1016/0960-894X(95)00171-O
BindingDB Entry DOI: 10.7270/Q2XG9R3P
More data for this
Ligand-Target Pair