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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'terao' and Initial = 's'   
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))
BDBM50228336
PNG
(CHEMBL71879)
Show SMILES [H][C@](CCCCCC(O)=O)(C1=C(C)C(=O)C(C)=C(C)C1=O)c1ccccc1 |c:10,t:16|
Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)/t18-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2214-21 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2P0W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50406422
PNG
(CHEMBL2115381)
Show SMILES CCCCCCCCCCCCCCCCCCOC1C(=O)O[C@H](C(O)CO)C1=O |r|
Show InChI InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28/h20,22-23,25-26H,2-19H2,1H3/t20?,22-,23?/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50279755
PNG
(7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2ccccc2)c(C)c1O |w:8.8|
Show InChI InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-12,25-26H,5,8-9,13H2,1-3H3,(H,23,24)
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n/an/a 7.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro concentration of the compound that reduced specific binding of [3H]-U-440619 to guinea pig platelet receptor, TXA2 by 50%


J Med Chem 32: 2214-21 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2P0W
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50010968
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES CCOC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C |w:5.4|
Show InChI InChI=1S/C19H19NO4/c1-4-24-17(21)8-7-15-12(2)19(23)16(13(3)18(15)22)10-14-6-5-9-20-11-14/h5-9,11,22-23H,2-4,10H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026531
PNG
(2,2-Dimethyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6...)
Show SMILES CC(C)(CCC\C=C(/c1cccs1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C18H21NO2S/c1-18(2,17(20)21)10-4-3-8-15(16-9-6-12-22-16)14-7-5-11-19-13-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,21)/b15-8-
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026538
PNG
(7-Naphthalen-2-yl-7-pyridin-3-yl-hept-6-enoic acid...)
Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-22(25)11-3-1-2-10-21(20-9-6-14-23-16-20)19-13-12-17-7-4-5-8-18(17)15-19/h4-10,12-16H,1-3,11H2,(H,24,25)/b21-10+
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026481
PNG
(7-Pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid |...)
Show SMILES OC(=O)CCCC\C=C(\c1cccs1)c1cccnc1
Show InChI InChI=1S/C16H17NO2S/c18-16(19)9-3-1-2-7-14(15-8-5-11-20-15)13-6-4-10-17-12-13/h4-8,10-12H,1-3,9H2,(H,18,19)/b14-7+
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026507
PNG
(2,2-Dimethyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic ...)
Show SMILES CC(C)(CCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C20H23NO2/c1-20(2,19(22)23)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-21-15-17/h3-5,8-12,14-15H,6-7,13H2,1-2H3,(H,22,23)/b18-12+
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010960
PNG
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
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n/an/a 26n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010960
PNG
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026521
PNG
(7-Phenyl-2-prop-2-ynyl-7-pyridin-3-yl-hept-6-enoic...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)CC#C
Show InChI InChI=1S/C21H21NO2/c1-2-9-18(21(23)24)12-6-7-14-20(17-10-4-3-5-11-17)19-13-8-15-22-16-19/h1,3-5,8,10-11,13-16,18H,6-7,9,12H2,(H,23,24)/b20-14+
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026497
PNG
(2-Isopropenyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic...)
Show SMILES CC(=C)C(CCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C21H23NO2/c1-16(2)19(21(23)24)12-6-7-13-20(17-9-4-3-5-10-17)18-11-8-14-22-15-18/h3-5,8-11,13-15,19H,1,6-7,12H2,2H3,(H,23,24)/b20-13+
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026508
PNG
(8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid | CHEMBL3...)
Show SMILES OC(=O)CCCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H21NO2/c21-19(22)13-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-14-20-15-17/h3-5,8-12,14-15H,1-2,6-7,13H2,(H,21,22)/b18-12+
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026493
PNG
(7-(3-Methyl-thiophen-2-yl)-7-pyridin-3-yl-hept-6-e...)
Show SMILES Cc1ccsc1\C(=C\CCCCC(O)=O)c1cccnc1
Show InChI InChI=1S/C17H19NO2S/c1-13-9-11-21-17(13)15(14-6-5-10-18-12-14)7-3-2-4-8-16(19)20/h5-7,9-12H,2-4,8H2,1H3,(H,19,20)/b15-7+
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026549
PNG
(2,2-Dimethyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic ...)
Show SMILES CC(C)(CCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C20H23NO2/c1-20(2,19(22)23)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-21-15-17/h3-5,8-12,14-15H,6-7,13H2,1-2H3,(H,22,23)/b18-12-
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026519
PNG
(6-Phenyl-6-pyridin-3-yl-hex-5-enoic acid | CHEMBL1...)
Show SMILES OC(=O)CCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C17H17NO2/c19-17(20)11-5-4-10-16(14-7-2-1-3-8-14)15-9-6-12-18-13-15/h1-3,6-10,12-13H,4-5,11H2,(H,19,20)/b16-10+
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026526
PNG
(2-Methylsulfanyl-7-phenyl-7-pyridin-3-yl-hept-6-en...)
Show SMILES CSC(CCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C19H21NO2S/c1-23-18(19(21)22)12-6-5-11-17(15-8-3-2-4-9-15)16-10-7-13-20-14-16/h2-4,7-11,13-14,18H,5-6,12H2,1H3,(H,21,22)/b17-11+
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026490
PNG
(7-Pyridin-3-yl-7-thiophen-3-yl-hept-6-enoic acid |...)
Show SMILES OC(=O)CCCC\C=C(\c1ccsc1)c1cccnc1
Show InChI InChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)/b15-6+
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50292409
PNG
((Z)-7-((1R,4S,5S,6R)-6-((S,E)-3-hydroxyoct-1-enyl)...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O |r|
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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n/an/a 31n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro concentration of the compound that reduced specific binding of [3H]-U-440619 to guinea pig platelet receptor, Thromboxane A2 receptor by 50%


J Med Chem 32: 2214-21 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2P0W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026499
PNG
(2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-eno...)
Show SMILES OC(=O)C(CCC\C=C(/c1cccs1)c1cccnc1)c1ccccc1
Show InChI InChI=1S/C22H21NO2S/c24-22(25)20(17-8-2-1-3-9-17)12-5-4-11-19(21-13-7-15-26-21)18-10-6-14-23-16-18/h1-3,6-11,13-16,20H,4-5,12H2,(H,24,25)/b19-11-
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026503
PNG
(10-Phenyl-10-pyridin-3-yl-dec-9-enoic acid | CHEMB...)
Show SMILES OC(=O)CCCCCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H25NO2/c23-21(24)15-9-4-2-1-3-8-14-20(18-11-6-5-7-12-18)19-13-10-16-22-17-19/h5-7,10-14,16-17H,1-4,8-9,15H2,(H,23,24)/b20-14+
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026528
PNG
(7-Phenyl-2-phenylsulfanyl-7-pyridin-3-yl-hept-6-en...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)Sc1ccccc1
Show InChI InChI=1S/C24H23NO2S/c26-24(27)23(28-21-13-5-2-6-14-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-9-17-25-18-20/h1-6,9-15,17-18,23H,7-8,16H2,(H,26,27)/b22-15+
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026546
PNG
(7-Naphthalen-1-yl-7-pyridin-3-yl-hept-6-enoic acid...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H21NO2/c24-22(25)14-3-1-2-11-20(18-10-7-15-23-16-18)21-13-6-9-17-8-4-5-12-19(17)21/h4-13,15-16H,1-3,14H2,(H,24,25)/b20-11+
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026551
PNG
(2,2-Dimethyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6...)
Show SMILES CC(C)(CCC\C=C(\c1cccs1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C18H21NO2S/c1-18(2,17(20)21)10-4-3-8-15(16-9-6-12-22-16)14-7-5-11-19-13-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,21)/b15-8+
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026537
PNG
(2,2-Dimethyl-8-phenyl-8-pyridin-3-yl-oct-7-enoic a...)
Show SMILES CC(C)(CCCC\C=C(\c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C21H25NO2/c1-21(2,20(23)24)14-8-4-7-13-19(17-10-5-3-6-11-17)18-12-9-15-22-16-18/h3,5-6,9-13,15-16H,4,7-8,14H2,1-2H3,(H,23,24)/b19-13-
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026511
PNG
(7-Benzo[1,3]dioxol-5-yl-7-pyridin-3-yl-hept-6-enoi...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO4/c21-19(22)7-3-1-2-6-16(15-5-4-10-20-12-15)14-8-9-17-18(11-14)24-13-23-17/h4-6,8-12H,1-3,7,13H2,(H,21,22)/b16-6-
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026542
PNG
(9-Phenyl-9-pyridin-3-yl-non-8-enoic acid | CHEMBL9...)
Show SMILES OC(=O)CCCCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H23NO2/c22-20(23)14-8-3-1-2-7-13-19(17-10-5-4-6-11-17)18-12-9-15-21-16-18/h4-6,9-13,15-16H,1-3,7-8,14H2,(H,22,23)/b19-13+
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026501
PNG
(2-Methoxymethyl-7-phenyl-7-pyridin-3-yl-hept-6-eno...)
Show SMILES COCC(CCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C20H23NO3/c1-24-15-18(20(22)23)10-5-6-12-19(16-8-3-2-4-9-16)17-11-7-13-21-14-17/h2-4,7-9,11-14,18H,5-6,10,15H2,1H3,(H,22,23)/b19-12+
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026532
PNG
(2-(1-Hydroxy-1-methyl-ethyl)-7-phenyl-7-pyridin-3-...)
Show SMILES CC(C)(O)C(CCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C21H25NO3/c1-21(2,25)19(20(23)24)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-22-15-17/h3-5,8-12,14-15,19,25H,6-7,13H2,1-2H3,(H,23,24)/b18-12+
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026539
PNG
(11-Phenyl-11-pyridin-3-yl-undec-10-enoic acid | CH...)
Show SMILES OC(=O)CCCCCCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H27NO2/c24-22(25)16-10-5-3-1-2-4-9-15-21(19-12-7-6-8-13-19)20-14-11-17-23-18-20/h6-8,11-15,17-18H,1-5,9-10,16H2,(H,24,25)/b21-15+
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026496
PNG
(2,2-Dimethyl-8-pyridin-3-yl-8-thiophen-2-yl-oct-7-...)
Show SMILES CC(C)(CCCC\C=C(\c1cccs1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C19H23NO2S/c1-19(2,18(21)22)11-5-3-4-9-16(17-10-7-13-23-17)15-8-6-12-20-14-15/h6-10,12-14H,3-5,11H2,1-2H3,(H,21,22)/b16-9+
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010949
PNG
(8-Pyridin-3-yl-8-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCCC(O)=O)c2cccnc2)c(C)c1O |w:8.8|
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(27)20(16(3)21(14)26)18(17-9-8-12-23-13-17)10-6-4-5-7-11-19(24)25/h8-10,12-13,26-27H,4-7,11H2,1-3H3,(H,24,25)
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n/an/a 44n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026552
PNG
(2,2-Dimethyl-8-phenyl-8-pyridin-3-yl-oct-7-enoic a...)
Show SMILES CC(C)(CCCC\C=C(/c1ccccc1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C21H25NO2/c1-21(2,20(23)24)14-8-4-7-13-19(17-10-5-3-6-11-17)18-12-9-15-22-16-18/h3,5-6,9-13,15-16H,4,7-8,14H2,1-2H3,(H,23,24)/b19-13+
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026548
PNG
(2,2-Dimethyl-8-pyridin-3-yl-8-thiophen-2-yl-oct-7-...)
Show SMILES CC(C)(CCCC\C=C(/c1cccs1)c1cccnc1)C(O)=O
Show InChI InChI=1S/C19H23NO2S/c1-19(2,18(21)22)11-5-3-4-9-16(17-10-7-13-23-17)15-8-6-12-20-14-15/h6-10,12-14H,3-5,11H2,1-2H3,(H,21,22)/b16-9-
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026487
PNG
(2-Allyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid ...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)CC=C
Show InChI InChI=1S/C21H23NO2/c1-2-9-18(21(23)24)12-6-7-14-20(17-10-4-3-5-11-17)19-13-8-15-22-16-19/h2-5,8,10-11,13-16,18H,1,6-7,9,12H2,(H,23,24)/b20-14+
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026516
PNG
(2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-eno...)
Show SMILES OC(=O)C(CCC\C=C(\c1cccs1)c1cccnc1)c1ccccc1
Show InChI InChI=1S/C22H21NO2S/c24-22(25)20(17-8-2-1-3-9-17)12-5-4-11-19(21-13-7-15-26-21)18-10-6-14-23-16-18/h1-3,6-11,13-16,20H,4-5,12H2,(H,24,25)/b19-11+
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026486
PNG
((Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11-
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026486
PNG
((Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(\c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11-
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026500
PNG
(7-Pyridin-3-yl-7-(3-trifluoromethyl-phenyl)-hept-6...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO2/c20-19(21,22)16-8-4-6-14(12-16)17(15-7-5-11-23-13-15)9-2-1-3-10-18(24)25/h4-9,11-13H,1-3,10H2,(H,24,25)/b17-9-
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n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026505
PNG
((Z)-7-Pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic ac...)
Show SMILES OC(=O)CCCC\C=C(/c1cccs1)c1cccnc1
Show InChI InChI=1S/C16H17NO2S/c18-16(19)9-3-1-2-7-14(15-8-5-11-20-15)13-6-4-10-17-12-13/h4-8,10-12H,1-3,9H2,(H,18,19)/b14-7-
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026535
PNG
(7-(3-Fluoro-phenyl)-7-pyridin-3-yl-hept-6-enoic ac...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(F)c1
Show InChI InChI=1S/C18H18FNO2/c19-16-8-4-6-14(12-16)17(15-7-5-11-20-13-15)9-2-1-3-10-18(21)22/h4-9,11-13H,1-3,10H2,(H,21,22)/b17-9-
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026545
PNG
(12-Phenyl-12-pyridin-3-yl-dodec-11-enoic acid | CH...)
Show SMILES OC(=O)CCCCCCCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H29NO2/c25-23(26)17-11-6-4-2-1-3-5-10-16-22(20-13-8-7-9-14-20)21-15-12-18-24-19-21/h7-9,12-16,18-19H,1-6,10-11,17H2,(H,25,26)/b22-16+
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026484
PNG
((Z)-7-Benzo[1,3]dioxol-5-yl-7-pyridin-3-yl-hept-6-...)
Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H19NO4/c21-19(22)7-3-1-2-6-16(15-5-4-10-20-12-15)14-8-9-17-18(11-14)24-13-23-17/h4-6,8-12H,1-3,7,13H2,(H,21,22)/b16-6+
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n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026524
PNG
(2-Benzyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)Cc1ccccc1
Show InChI InChI=1S/C25H25NO2/c27-25(28)22(18-20-10-3-1-4-11-20)14-7-8-16-24(21-12-5-2-6-13-21)23-15-9-17-26-19-23/h1-6,9-13,15-17,19,22H,7-8,14,18H2,(H,27,28)/b24-16+
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026517
PNG
((Z)-7-Naphthalen-2-yl-7-pyridin-3-yl-hept-6-enoic ...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H21NO2/c24-22(25)11-3-1-2-10-21(20-9-6-14-23-16-20)19-13-12-17-7-4-5-8-18(17)15-19/h4-10,12-16H,1-3,11H2,(H,24,25)/b21-10-
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026547
PNG
(2-Cyclopent-1-enyl-7-phenyl-7-pyridin-3-yl-hept-6-...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)C1=CCCC1 |t:23|
Show InChI InChI=1S/C23H25NO2/c25-23(26)22(19-11-4-5-12-19)15-7-6-14-21(18-9-2-1-3-10-18)20-13-8-16-24-17-20/h1-3,8-11,13-14,16-17,22H,4-7,12,15H2,(H,25,26)/b21-14+
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026509
PNG
((Z)-7-Pyridin-3-yl-7-thiophen-3-yl-hept-6-enoic ac...)
Show SMILES OC(=O)CCCC\C=C(/c1ccsc1)c1cccnc1
Show InChI InChI=1S/C16H17NO2S/c18-16(19)7-3-1-2-6-15(14-8-10-20-12-14)13-5-4-9-17-11-13/h4-6,8-12H,1-3,7H2,(H,18,19)/b15-6-
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006803
PNG
(2,3,5-Trimethyl-6-pyridin-3-ylmethyl-[1,4]benzoqui...)
Show SMILES Cc1c(O)c(=Cc2cccnc2)c(C)c(O)c1=C |w:5.5|
Show InChI InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-8,17-18H,1H2,2-3H3
PDB
MMDB

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n/an/a 62n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50010970
PNG
(7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2cccnc2)c(C)c1O |w:8.8|
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12,25-26H,4-6,10H2,1-3H3,(H,23,24)
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n/an/a 63n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


J Med Chem 34: 267-76 (1991)


BindingDB Entry DOI: 10.7270/Q2SN07X9
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50026488
PNG
(7-(4-Isopropyl-phenyl)-7-pyridin-3-yl-hept-6-enoic...)
Show SMILES CC(C)c1ccc(cc1)C(=C\CCCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C21H25NO2/c1-16(2)17-10-12-18(13-11-17)20(19-7-6-14-22-15-19)8-4-3-5-9-21(23)24/h6-8,10-16H,3-5,9H2,1-2H3,(H,23,24)/b20-8-
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair
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