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There are 23 purchasable compounds for target: P450 TxA2

Wt: 68.0
BDBM7882
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Wt: 232.2
BDBM7962
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Wt: 357.7
BDBM17638
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Wt: 168.1
BDBM84684
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Wt: 210.2
BDBM92497
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Wt: 224.2
BDBM50000306
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Wt: 283.3
BDBM50000317
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Wt: 471.0
BDBM50000838
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Wt: 498.5
BDBM50006812
Wt: 281.3
BDBM50010960
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Wt: 228.2
BDBM50017896
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Wt: 197.2
BDBM50022120
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Wt: 194.3
BDBM50028747
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Wt: 281.3
BDBM50026486
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Wt: 203.2
BDBM50026003
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Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 7882,7962,17638,84684,92497,50000306,50000317,50000838,50006812,50010960,50017896,50022120,50028747,50026486,50026003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universitat des Saarlandes



Assay Description
Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...


J Med Chem 43: 1841-51 (2000)

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


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 28n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of Thromboxane synthase using [14C]-arachidonic acid as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50022120
PNG
(3-Imidazol-1-ylmethyl-1H-indole | CHEMBL116794)
Show SMILES C(c1c[nH]c2ccccc12)n1ccnc1
Show InChI InChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane TXA2 synthetase from human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 1.40E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 620n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A synthetase in humans


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50000838
PNG
(CHEMBL416657 | Sodium; 3-[3-tert-butylsulfanyl-1-(...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)/p-1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7882
PNG
(1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...)
Show SMILES c1c[nH]cn1
Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
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n/an/a 6.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50026003
PNG
(4-(2-Imidazol-1-yl-ethoxy)-phenylamine | CHEMBL336...)
Show SMILES Nc1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C11H13N3O/c12-10-1-3-11(4-2-10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8,12H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in platelet rich plasma.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 1.29E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against intact human platelet TXA2 formation


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase from human platelets.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 70n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 20n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 300n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human platelet


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 900n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 17n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro Inhibition of thromboxane synthase from human blood platelet microsomes


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 300n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human platelet


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 2.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Activity against TXA2 synthase in bovine platelet microsome


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Activity against human platelet microsome Thromboxane synthase


J Med Chem 40: 3442-52 (1997)

More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 49n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 48.7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against thromboxane synthase


J Med Chem 41: 5362-74 (1999)

More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 0.900n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 24n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 0.890n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 24n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 24n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 0.900n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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)

More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50000317
PNG
(3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...)
Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet microsomal TXA2 synthase


Bioorg Med Chem Lett 6: 1691-1696 (1996)

More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50006812
PNG
(7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...)
Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM92497
PNG
(CHEMBL542051 | Omega-imidazolyl octanoic acid)
Show SMILES OC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50028747
PNG
(1-Nonyl-1H-imidazole | CHEMBL15181)
Show SMILES CCCCCCCCCn1ccnc1
Show InChI InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14/h9,11-12H,2-8,10H2,1H3
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM92497
PNG
(CHEMBL542051 | Omega-imidazolyl octanoic acid)
Show SMILES OC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM84684
PNG
(1-Subsituted 1H-imidazole, 21 | CHEMBL543494)
Show SMILES OC(=O)CCCCn1ccnc1
Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Thromboxane synthetase


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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-
KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a 36n/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


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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+
KEGG

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antibodypedia
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CHEMBL
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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


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
KEGG

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CHEMBL
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PC cid
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research UK

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg


Citation and Details
More data for this
Ligand-Target Pair
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