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Compile Data Set for Download or QSAR

Found 203 hits Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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-A synthase


(Rattus norvegicus)
BDBM50037039
PNG
(2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothi...)
Show SMILES Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1
Show InChI InChI=1S/C15H15N3OS/c1-8-11(6-10-4-3-5-17-7-10)12-14(9(2)13(8)19)20-15(16)18-12/h3-5,7,19H,6H2,1-2H3,(H2,16,18)
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n/an/a 2n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat


J Med Chem 37: 3062-70 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024903
PNG
(6-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C15H15ClN4O2/c16-11-3-4-13-12(9-11)14(21)20(15(22)18-13)7-2-1-6-19-8-5-17-10-19/h3-5,8-10H,1-2,6-7H2,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024948
PNG
(6-Chloro-3-(7-imidazol-1-yl-heptyl)-1H-quinazoline...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C18H21ClN4O2/c19-14-6-7-16-15(12-14)17(24)23(18(25)21-16)10-5-3-1-2-4-9-22-11-8-20-13-22/h6-8,11-13H,1-5,9-10H2,(H,21,25)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024906
PNG
(3-(3-Imidazol-1-yl-2-methyl-propyl)-6-methyl-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccc(C)cc2c1=O
Show InChI InChI=1S/C16H18N4O2/c1-11-3-4-14-13(7-11)15(21)20(16(22)18-14)9-12(2)8-19-6-5-17-10-19/h3-7,10,12H,8-9H2,1-2H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024934
PNG
(7-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C15H15ClN4O2/c1-10(7-19-5-4-17-9-19)8-20-14(21)12-3-2-11(16)6-13(12)18-15(20)22/h2-6,9-10H,7-8H2,1H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024914
PNG
(6-Chloro-3-(6-imidazol-1-yl-hexyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C17H19ClN4O2/c18-13-5-6-15-14(11-13)16(23)22(17(24)20-15)9-4-2-1-3-8-21-10-7-19-12-21/h5-7,10-12H,1-4,8-9H2,(H,20,24)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024415
PNG
(5-Chloro-1H-indole-2-carboxylic acid (5-imidazol-1...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCCCCCn1ccnc1
Show InChI InChI=1S/C17H19ClN4O/c18-14-4-5-15-13(10-14)11-16(21-15)17(23)20-6-2-1-3-8-22-9-7-19-12-22/h4-5,7,9-12,21H,1-3,6,8H2,(H,20,23)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024903
PNG
(6-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C15H15ClN4O2/c16-11-3-4-13-12(9-11)14(21)20(15(22)18-13)7-2-1-6-19-8-5-17-10-19/h3-5,8-10H,1-2,6-7H2,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024913
PNG
(6-Chloro-3-(10-imidazol-1-yl-decyl)-1H-quinazoline...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCCCCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C21H27ClN4O2/c22-17-9-10-19-18(15-17)20(27)26(21(28)24-19)13-8-6-4-2-1-3-5-7-12-25-14-11-23-16-25/h9-11,14-16H,1-8,12-13H2,(H,24,28)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024908
PNG
(6-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C15H15ClN4O2/c1-10(7-19-5-4-17-9-19)8-20-14(21)12-6-11(16)2-3-13(12)18-15(20)22/h2-6,9-10H,7-8H2,1H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024925
PNG
(7-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2c(c1)[nH]c(=O)n(CCCCn1ccnc1)c2=O
Show InChI InChI=1S/C15H15ClN4O2/c16-11-3-4-12-13(9-11)18-15(22)20(14(12)21)7-2-1-6-19-8-5-17-10-19/h3-5,8-10H,1-2,6-7H2,(H,18,22)
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n/an/a 9n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024908
PNG
(6-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C15H15ClN4O2/c1-10(7-19-5-4-17-9-19)8-20-14(21)12-6-11(16)2-3-13(12)18-15(20)22/h2-6,9-10H,7-8H2,1H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024950
PNG
(3-(5-Imidazol-1-yl-pentyl)-8-trifluoromethyl-1H-qu...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c(=O)n(CCCCCn1ccnc1)c2=O
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)13-6-4-5-12-14(13)22-16(26)24(15(12)25)9-3-1-2-8-23-10-7-21-11-23/h4-7,10-11H,1-3,8-9H2,(H,22,26)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024942
PNG
(8-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2c(Cl)cccc2c1=O
Show InChI InChI=1S/C15H15ClN4O2/c1-10(7-19-6-5-17-9-19)8-20-14(21)11-3-2-4-12(16)13(11)18-15(20)22/h2-6,9-10H,7-8H2,1H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024936
PNG
(6-Chloro-3-(5-imidazol-1-yl-pentyl)-1H-quinazoline...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C16H17ClN4O2/c17-12-4-5-14-13(10-12)15(22)21(16(23)19-14)8-3-1-2-7-20-9-6-18-11-20/h4-6,9-11H,1-3,7-8H2,(H,19,23)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50018179
PNG
(2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...)
Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1
Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
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n/an/a 13n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits


J Med Chem 32: 1265-72 (1989)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024940
PNG
(3-(3-Imidazol-1-yl-propyl)-6-methyl-1H-quinazoline...)
Show SMILES Cc1ccc2[nH]c(=O)n(CCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C15H16N4O2/c1-11-3-4-13-12(9-11)14(20)19(15(21)17-13)7-2-6-18-8-5-16-10-18/h3-5,8-10H,2,6-7H2,1H3,(H,17,21)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037746
PNG
(5-[2-Imidazol-1-yl-1,3-diphenyl-prop-(Z)-ylideneam...)
Show SMILES OC(=O)CCCCO\N=C(/C(Cc1ccccc1)n1ccnc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1-6,9-12,14-15,18,21H,7-8,13,16-17H2,(H,27,28)/b25-23-
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n/an/a 20n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50018181
PNG
(2-Imidazol-1-ylmethyl-4,5,6,7-tetrahydro-benzo[b]t...)
Show SMILES OC(=O)C1CCc2cc(Cn3ccnc3)sc2C1
Show InChI InChI=1S/C13H14N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-5,8,10H,1-2,6-7H2,(H,16,17)
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 synthetase


J Med Chem 32: 1265-72 (1989)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024424
PNG
(5-Chloro-1H-indole-2-carboxylic acid (8-imidazol-1...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCCCn1ccnc1
Show InChI InChI=1S/C20H25ClN4O/c21-17-7-8-18-16(13-17)14-19(24-18)20(26)23-9-5-3-1-2-4-6-11-25-12-10-22-15-25/h7-8,10,12-15,24H,1-6,9,11H2,(H,23,26)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024931
PNG
(8-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES Clc1cccc2c1[nH]c(=O)n(CCCCn1ccnc1)c2=O
Show InChI InChI=1S/C15H15ClN4O2/c16-12-5-3-4-11-13(12)18-15(22)20(14(11)21)8-2-1-7-19-9-6-17-10-19/h3-6,9-10H,1-2,7-8H2,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024946
PNG
(3-(5-Imidazol-1-yl-pentyl)-6-methyl-1H-quinazoline...)
Show SMILES Cc1ccc2[nH]c(=O)n(CCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C17H20N4O2/c1-13-5-6-15-14(11-13)16(22)21(17(23)19-15)9-4-2-3-8-20-10-7-18-12-20/h5-7,10-12H,2-4,8-9H2,1H3,(H,19,23)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50003795
PNG
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)
Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
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n/an/a 30n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024938
PNG
(3-(3-Imidazol-1-yl-2-methyl-propyl)-1H-quinazoline...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C15H16N4O2/c1-11(8-18-7-6-16-10-18)9-19-14(20)12-4-2-3-5-13(12)17-15(19)21/h2-7,10-11H,8-9H2,1H3,(H,17,21)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024922
PNG
(3-(6-Imidazol-1-yl-hexyl)-1H-quinazoline-2,4-dione...)
Show SMILES O=c1[nH]c2ccccc2c(=O)n1CCCCCCn1ccnc1
Show InChI InChI=1S/C17H20N4O2/c22-16-14-7-3-4-8-15(14)19-17(23)21(16)11-6-2-1-5-10-20-12-9-18-13-20/h3-4,7-9,12-13H,1-2,5-6,10-11H2,(H,19,23)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037743
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneami...)
Show SMILES OC(=O)CCCCO\N=C(/Cn1ccnc1)C1CCCCC1
Show InChI InChI=1S/C16H25N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h9-10,13-14H,1-8,11-12H2,(H,20,21)/b18-15+
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024912
PNG
(6-Chloro-3-(8-imidazol-1-yl-octyl)-3H-quinazolin-4...)
Show SMILES Clc1ccc2ncn(CCCCCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C19H23ClN4O/c20-16-7-8-18-17(13-16)19(25)24(15-22-18)11-6-4-2-1-3-5-10-23-12-9-21-14-23/h7-9,12-15H,1-6,10-11H2
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037725
PNG
(5-[1-Imidazol-1-ylmethyl-hept-(Z)-ylideneaminooxy]...)
Show SMILES CCCCCC\C(Cn1ccnc1)=N\OCCCCC(O)=O
Show InChI InChI=1S/C16H27N3O3/c1-2-3-4-5-8-15(13-19-11-10-17-14-19)18-22-12-7-6-9-16(20)21/h10-11,14H,2-9,12-13H2,1H3,(H,20,21)/b18-15-
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024414
PNG
(1H-Indole-2-carboxylic acid (4-imidazol-1-yl-butyl...)
Show SMILES O=C(NCCCCn1ccnc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H18N4O/c21-16(15-11-13-5-1-2-6-14(13)19-15)18-7-3-4-9-20-10-8-17-12-20/h1-2,5-6,8,10-12,19H,3-4,7,9H2,(H,18,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024926
PNG
(8-Chloro-3-(5-imidazol-1-yl-pentyl)-1H-quinazoline...)
Show SMILES Clc1cccc2c1[nH]c(=O)n(CCCCCn1ccnc1)c2=O
Show InChI InChI=1S/C16H17ClN4O2/c17-13-6-4-5-12-14(13)19-16(23)21(15(12)22)9-3-1-2-8-20-10-7-18-11-20/h4-7,10-11H,1-3,8-9H2,(H,19,23)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024910
PNG
(3-(4-Imidazol-1-yl-butyl)-6-methyl-1H-quinazoline-...)
Show SMILES Cc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C16H18N4O2/c1-12-4-5-14-13(10-12)15(21)20(16(22)18-14)8-3-2-7-19-9-6-17-11-19/h4-6,9-11H,2-3,7-8H2,1H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50367468
PNG
(CHEMBL1743616)
Show SMILES O=c1n(CCCCCCn2ccnc2)nnc2ccccc12
Show InChI InChI=1S/C16H19N5O/c22-16-14-7-3-4-8-15(14)18-19-21(16)11-6-2-1-5-10-20-12-9-17-13-20/h3-4,7-9,12-13H,1-2,5-6,10-11H2
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024951
PNG
(3-(4-Imidazol-1-yl-butyl)-8-trifluoromethyl-1H-qui...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c(=O)n(CCCCn1ccnc1)c2=O
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)12-5-3-4-11-13(12)21-15(25)23(14(11)24)8-2-1-7-22-9-6-20-10-22/h3-6,9-10H,1-2,7-8H2,(H,21,25)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024408
PNG
(5-Chloro-1H-indole-2-carboxylic acid (3-imidazol-1...)
Show SMILES CC(CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)n1ccnc1
Show InChI InChI=1S/C16H17ClN4O/c1-11(21-7-6-18-10-21)4-5-19-16(22)15-9-12-8-13(17)2-3-14(12)20-15/h2-3,6-11,20H,4-5H2,1H3,(H,19,22)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037757
PNG
(5-[1-(1-Imidazol-1-yl-2-phenyl-ethyl)-hept-(E)-yli...)
Show SMILES CCCCCC\C(=N/OCCCCC(O)=O)C(Cc1ccccc1)n1ccnc1
Show InChI InChI=1S/C23H33N3O3/c1-2-3-4-8-13-21(25-29-17-10-9-14-23(27)28)22(26-16-15-24-19-26)18-20-11-6-5-7-12-20/h5-7,11-12,15-16,19,22H,2-4,8-10,13-14,17-18H2,1H3,(H,27,28)/b25-21+
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037750
PNG
(5-[2-Imidazol-1-yl-1,3-diphenyl-prop-(E)-ylideneam...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1ccccc1)n1ccnc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1-6,9-12,14-15,18,21H,7-8,13,16-17H2,(H,27,28)/b25-23+
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037751
PNG
(5-[3-(4-Fluoro-phenyl)-2-imidazol-1-yl-1-phenyl-pr...)
Show SMILES OC(=O)CCCCO\N=C(/C(Cc1ccc(F)cc1)n1ccnc1)c1ccccc1
Show InChI InChI=1S/C23H24FN3O3/c24-20-11-9-18(10-12-20)16-21(27-14-13-25-17-27)23(19-6-2-1-3-7-19)26-30-15-5-4-8-22(28)29/h1-3,6-7,9-14,17,21H,4-5,8,15-16H2,(H,28,29)/b26-23-
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50367469
PNG
(CHEMBL1743613)
Show SMILES Cc1ccc2nnn(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C15H17N5O/c1-12-4-5-14-13(10-12)15(21)20(18-17-14)8-3-2-7-19-9-6-16-11-19/h4-6,9-11H,2-3,7-8H2,1H3
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037740
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-phenyl-prop-(E)-...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1ccccc1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C23H31N3O3/c27-22(28)13-7-8-16-29-25-23(20-11-5-2-6-12-20)21(26-15-14-24-18-26)17-19-9-3-1-4-10-19/h1,3-4,9-10,14-15,18,20-21H,2,5-8,11-13,16-17H2,(H,27,28)/b25-23+
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024413
PNG
(5-Chloro-thiophene-2-carboxylic acid (8-imidazol-1...)
Show SMILES Clc1ccc(s1)C(=O)NCCCCCCCCn1ccnc1
Show InChI InChI=1S/C16H22ClN3OS/c17-15-8-7-14(22-15)16(21)19-9-5-3-1-2-4-6-11-20-12-10-18-13-20/h7-8,10,12-13H,1-6,9,11H2,(H,19,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037731
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-pyrazin-2-yl-pro...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1cnccn1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C21H29N5O3/c27-20(28)8-4-5-13-29-25-21(17-6-2-1-3-7-17)19(26-12-11-23-16-26)14-18-15-22-9-10-24-18/h9-12,15-17,19H,1-8,13-14H2,(H,27,28)/b25-21+
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Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024929
PNG
(3-(3-Imidazol-1-yl-butyl)-6-methyl-1H-quinazoline-...)
Show SMILES CC(CCn1c(=O)[nH]c2ccc(C)cc2c1=O)n1ccnc1
Show InChI InChI=1S/C16H18N4O2/c1-11-3-4-14-13(9-11)15(21)20(16(22)18-14)7-5-12(2)19-8-6-17-10-19/h3-4,6,8-10,12H,5,7H2,1-2H3,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037051
PNG
(5,7-Dimethyl-2-propylamino-4-pyridin-3-ylmethyl-be...)
Show SMILES CCCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Show InChI InChI=1S/C18H21N3OS/c1-4-7-20-18-21-15-14(9-13-6-5-8-19-10-13)11(2)16(22)12(3)17(15)23-18/h5-6,8,10,22H,4,7,9H2,1-3H3,(H,20,21)
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Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat


J Med Chem 37: 3062-70 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024923
PNG
(2-Amino-5-chloro-N-(3-imidazol-1-yl-2-methyl-propy...)
Show SMILES CC(CNC(=O)c1cc(Cl)ccc1N)Cn1ccnc1
Show InChI InChI=1S/C14H17ClN4O/c1-10(8-19-5-4-17-9-19)7-18-14(20)12-6-11(15)2-3-13(12)16/h2-6,9-10H,7-8,16H2,1H3,(H,18,20)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037037
PNG
(5,7-Dimethyl-2-methylamino-4-pyridin-3-ylmethyl-be...)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1
Show InChI InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)
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n/an/a 90n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat


J Med Chem 37: 3062-70 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024943
PNG
(6-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-3H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1cnc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C15H15ClN4O/c1-11(7-19-5-4-17-9-19)8-20-10-18-14-3-2-12(16)6-13(14)15(20)21/h2-6,9-11H,7-8H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024103
PNG
(2-(10-Imidazol-1-yl-decyl)-isoindole-1,3-dione | C...)
Show SMILES O=C1N(CCCCCCCCCCn2ccnc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H27N3O2/c25-20-18-11-7-8-12-19(18)21(26)24(20)15-10-6-4-2-1-3-5-9-14-23-16-13-22-17-23/h7-8,11-13,16-17H,1-6,9-10,14-15H2
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of thromboxane synthetase


J Med Chem 29: 816-9 (1986)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037745
PNG
(5-[1-Cyclohexyl-3-furan-2-yl-2-imidazol-1-yl-prop-...)
Show SMILES OC(=O)CCCCO\N=C(\C(Cc1ccco1)n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)10-4-5-14-28-23-21(17-7-2-1-3-8-17)19(24-12-11-22-16-24)15-18-9-6-13-27-18/h6,9,11-13,16-17,19H,1-5,7-8,10,14-15H2,(H,25,26)/b23-21+
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n/an/a 100n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade


J Med Chem 37: 3588-604 (1994)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024920
PNG
(6-Bromo-3-(3-imidazol-1-yl-propyl)-1H-quinazoline-...)
Show SMILES Brc1ccc2[nH]c(=O)n(CCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C14H13BrN4O2/c15-10-2-3-12-11(8-10)13(20)19(14(21)17-12)6-1-5-18-7-4-16-9-18/h2-4,7-9H,1,5-6H2,(H,17,21)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)

More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024412
PNG
(5-Chloro-benzo[b]thiophene-2-carboxylic acid (3-im...)
Show SMILES Clc1ccc2sc(cc2c1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C15H14ClN3OS/c16-12-2-3-13-11(8-12)9-14(21-13)15(20)18-4-1-6-19-7-5-17-10-19/h2-3,5,7-10H,1,4,6H2,(H,18,20)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane formation at a concentration of 10e -6 M.


J Med Chem 30: 1036-40 (1987)

More data for this
Ligand-Target Pair
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