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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'tomcufcik' and Initial = 'as'   
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-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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n/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
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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n/an/a 7n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 8n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
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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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 10n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 10n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
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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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
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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n/an/a 40n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
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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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 50n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 60n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 70n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
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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n/an/a 70n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
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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n/an/a 100n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50026226
PNG
(4-Chloro-N-(8-imidazol-1-yl-octyl)-benzamide | CHE...)
Show SMILES Clc1ccc(cc1)C(=O)NCCCCCCCCn1ccnc1
Show InChI InChI=1S/C18H24ClN3O/c19-17-9-7-16(8-10-17)18(23)21-11-5-3-1-2-4-6-13-22-14-12-20-15-22/h7-10,12,14-15H,1-6,11,13H2,(H,21,23)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against thromboxane synthetase


J Med Chem 29: 523-30 (1986)


BindingDB Entry DOI: 10.7270/Q27W6B6V
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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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of thromboxane synthetase


J Med Chem 29: 816-9 (1986)


BindingDB Entry DOI: 10.7270/Q2H70GCD
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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n/an/a 100n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
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 150n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024932
PNG
(6-Chloro-3-(3-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES CC(CCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)n1ccnc1
Show InChI InChI=1S/C15H15ClN4O2/c1-10(19-7-5-17-9-19)4-6-20-14(21)12-8-11(16)2-3-13(12)18-15(20)22/h2-3,5,7-10H,4,6H2,1H3,(H,18,22)
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n/an/a 150n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024944
PNG
(2-Amino-N-(3-imidazol-1-yl-butyl)-5-methyl-benzami...)
Show SMILES CC(CCNC(=O)c1cc(C)ccc1N)n1ccnc1
Show InChI InChI=1S/C15H20N4O/c1-11-3-4-14(16)13(9-11)15(20)18-6-5-12(2)19-8-7-17-10-19/h3-4,7-10,12H,5-6,16H2,1-2H3,(H,18,20)
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n/an/a 170n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024916
PNG
(7-Chloro-3-(3-imidazol-1-yl-propyl)-1H-quinazoline...)
Show SMILES Clc1ccc2c(c1)[nH]c(=O)n(CCCn1ccnc1)c2=O
Show InChI InChI=1S/C14H13ClN4O2/c15-10-2-3-11-12(8-10)17-14(21)19(13(11)20)6-1-5-18-7-4-16-9-18/h2-4,7-9H,1,5-6H2,(H,17,21)
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n/an/a 180n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024410
PNG
(5-Chloro-thiophene-2-carboxylic acid (4-imidazol-1...)
Show SMILES Clc1ccc(s1)C(=O)NCCCCn1ccnc1
Show InChI InChI=1S/C12H14ClN3OS/c13-11-4-3-10(18-11)12(17)15-5-1-2-7-16-8-6-14-9-16/h3-4,6,8-9H,1-2,5,7H2,(H,15,17)
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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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024419
PNG
(5-Chloro-thiophene-2-carboxylic acid (5-imidazol-1...)
Show SMILES Clc1ccc(s1)C(=O)NCCCCCn1ccnc1
Show InChI InChI=1S/C13H16ClN3OS/c14-12-5-4-11(19-12)13(18)16-6-2-1-3-8-17-9-7-15-10-17/h4-5,7,9-10H,1-3,6,8H2,(H,16,18)
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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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024930
PNG
(7-Chloro-3-(6-imidazol-1-yl-hexyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2c(c1)[nH]c(=O)n(CCCCCCn1ccnc1)c2=O
Show InChI InChI=1S/C17H19ClN4O2/c18-13-5-6-14-15(11-13)20-17(24)22(16(14)23)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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n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024111
PNG
(2-(8-Imidazol-1-yl-octyl)-isoindole-1,3-dione | CH...)
Show SMILES O=C1N(CCCCCCCCn2ccnc2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H23N3O2/c23-18-16-9-5-6-10-17(16)19(24)22(18)13-8-4-2-1-3-7-12-21-14-11-20-15-21/h5-6,9-11,14-15H,1-4,7-8,12-13H2
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of thromboxane synthetase


J Med Chem 29: 816-9 (1986)


BindingDB Entry DOI: 10.7270/Q2H70GCD
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024423
PNG
(5-Chloro-thiophene-2-carboxylic acid (6-imidazol-1...)
Show SMILES Clc1ccc(s1)C(=O)NCCCCCCn1ccnc1
Show InChI InChI=1S/C14H18ClN3OS/c15-13-6-5-12(20-13)14(19)17-7-3-1-2-4-9-18-10-8-16-11-18/h5-6,8,10-11H,1-4,7,9H2,(H,17,19)
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n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024941
PNG
(6-Chloro-3-(4-imidazol-1-yl-butyl)-3H-benzo[d][1,2...)
Show SMILES Clc1ccc2nnn(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C14H14ClN5O/c15-11-3-4-13-12(9-11)14(21)20(18-17-13)7-2-1-6-19-8-5-16-10-19/h3-5,8-10H,1-2,6-7H2
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n/an/a 240n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024915
PNG
(2-Amino-5-bromo-N-(3-imidazol-1-yl-2-methyl-propyl...)
Show SMILES CC(CNC(=O)c1cc(Br)ccc1N)Cn1ccnc1
Show InChI InChI=1S/C14H17BrN4O/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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n/an/a 290n/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)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024420
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid (3-im...)
Show SMILES Clc1c(sc2ccccc12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C15H14ClN3OS/c16-13-11-4-1-2-5-12(11)21-14(13)15(20)18-6-3-8-19-9-7-17-10-19/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,20)
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024407
PNG
(Benzofuran-2-carboxylic acid (3-imidazol-1-yl-prop...)
Show SMILES O=C(NCCCn1ccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C15H15N3O2/c19-15(17-6-3-8-18-9-7-16-11-18)14-10-12-4-1-2-5-13(12)20-14/h1-2,4-5,7,9-11H,3,6,8H2,(H,17,19)
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q24F1PRV
More data for this
Ligand-Target Pair
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