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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'randall' and Initial = 'mj'   
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


(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 thromboxane TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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

J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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.

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022130
PNG
(3-(2-Cyclopropyl-3-imidazol-1-ylmethyl-indol-1-yl)...)
Show SMILES OC(=O)CCn1c(C2CC2)c(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C18H19N3O2/c22-17(23)7-9-21-16-4-2-1-3-14(16)15(18(21)13-5-6-13)11-20-10-8-19-12-20/h1-4,8,10,12-13H,5-7,9,11H2,(H,22,23)
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025114
PNG
(5-Imidazol-1-ylmethyl-1H-indole-2-carboxylic acid ...)
Show SMILES OC(=O)c1cc2cc(Cn3ccnc3)ccc2[nH]1
Show InChI InChI=1S/C13H11N3O2/c17-13(18)12-6-10-5-9(1-2-11(10)15-12)7-16-4-3-14-8-16/h1-6,8,15H,7H2,(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025116
PNG
(6-Imidazol-1-ylmethyl-4-methoxy-benzo[b]thiophene-...)
Show SMILES COc1cc(Cn2ccnc2)cc2sc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O3S/c1-19-11-4-9(7-16-3-2-15-8-16)5-12-10(11)6-13(20-12)14(17)18/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025108
PNG
(6-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-2...)
Show SMILES Cc1c(sc2cc(Cn3ccnc3)ccc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-11-3-2-10(7-16-5-4-15-8-16)6-12(11)19-13(9)14(17)18/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025112
PNG
(3-Chloro-6-imidazol-1-ylmethyl-benzo[b]thiophene-2...)
Show SMILES OC(=O)c1sc2cc(Cn3ccnc3)ccc2c1Cl
Show InChI InChI=1S/C13H9ClN2O2S/c14-11-9-2-1-8(6-16-4-3-15-7-16)5-10(9)19-12(11)13(17)18/h1-5,7H,6H2,(H,17,18)
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n/an/a 7.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022118
PNG
(3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-p...)
Show SMILES CC(C)c1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O
Show InChI InChI=1S/C18H21N3O2/c1-13(2)18-15(11-20-10-8-19-12-20)14-5-3-4-6-16(14)21(18)9-7-17(22)23/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,23)
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022117
PNG
(1-Ethyl-3-imidazol-1-ylmethyl-1H-indole | CHEMBL11...)
Show SMILES CCn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C14H15N3/c1-2-17-10-12(9-16-8-7-15-11-16)13-5-3-4-6-14(13)17/h3-8,10-11H,2,9H2,1H3
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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022131
PNG
(3-(3-Imidazol-1-ylmethyl-6-trifluoromethyl-indol-1...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O2/c17-16(18,19)12-1-2-13-11(8-21-6-4-20-10-21)9-22(14(13)7-12)5-3-15(23)24/h1-2,4,6-7,9-10H,3,5,8H2,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Prostacyclin synthase


(Homo sapiens (Human))		BDBM50022222
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carbox...)
Show SMILES Cc1c(Cn2ccnc2)oc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O3/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
PDB
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n/an/a>10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine aorta prostacyclin PGI-2 synthetase

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022129
PNG
(3-(5-Bromo-3-imidazol-1-ylmethyl-indol-1-yl)-propi...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN3O2/c16-12-1-2-14-13(7-12)11(8-18-6-4-17-10-18)9-19(14)5-3-15(20)21/h1-2,4,6-7,9-10H,3,5,8H2,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022224
PNG
(2-Imidazol-1-ylmethyl-benzofuran-5-carboxylic acid...)
Show SMILES OC(=O)c1ccc2oc(Cn3ccnc3)cc2c1
Show InChI InChI=1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025999
PNG
(5-[4-(2-Imidazol-1-yl-ethoxy)-phenyl]-1H-tetrazole...)
Show SMILES C(Cn1ccnc1)Oc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C12H12N6O/c1-3-11(19-8-7-18-6-5-13-9-18)4-2-10(1)12-14-16-17-15-12/h1-6,9H,7-8H2,(H,14,15,16,17)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase

J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022121
PNG
(3-Imidazol-1-ylmethyl-2-isopropyl-1H-indole | 3-Im...)
Show SMILES CC(C)c1[nH]c2ccccc2c1Cn1ccnc1
Show InChI InChI=1S/C15H17N3/c1-11(2)15-13(9-18-8-7-16-10-18)12-5-3-4-6-14(12)17-15/h3-8,10-11,17H,9H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase

J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022121
PNG
(3-Imidazol-1-ylmethyl-2-isopropyl-1H-indole | 3-Im...)
Show SMILES CC(C)c1[nH]c2ccccc2c1Cn1ccnc1
Show InChI InChI=1S/C15H17N3/c1-11(2)15-13(9-18-8-7-16-10-18)12-5-3-4-6-14(12)17-15/h3-8,10-11,17H,9H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022217
PNG
(2-Imidazol-1-ylmethyl-benzo[b]thiophene-5-carboxyl...)
Show SMILES OC(=O)c1ccc2sc(Cn3ccnc3)cc2c1
Show InChI InChI=1S/C13H10N2O2S/c16-13(17)9-1-2-12-10(5-9)6-11(18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022216
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-5...)
Show SMILES Cc1c(Cn2ccnc2)sc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022219
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-6...)
Show SMILES Cc1c(Cn2ccnc2)sc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-11-3-2-10(14(17)18)6-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025113
PNG
(6-Imidazol-1-ylmethyl-benzo[b]thiophene-2-carboxyl...)
Show SMILES OC(=O)c1cc2ccc(Cn3ccnc3)cc2s1
Show InChI InChI=1S/C13H10N2O2S/c16-13(17)12-6-10-2-1-9(5-11(10)18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025109
PNG
(6-Imidazol-1-ylmethyl-benzo[b]thiophene-3-carboxyl...)
Show SMILES OC(=O)c1csc2cc(Cn3ccnc3)ccc12
Show InChI InChI=1S/C13H10N2O2S/c16-13(17)11-7-18-12-5-9(1-2-10(11)12)6-15-4-3-14-8-15/h1-5,7-8H,6H2,(H,16,17)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022124
PNG
(3-(3-Imidazol-1-ylmethyl-indol-1-yl)-propionic aci...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C15H15N3O2/c19-15(20)5-7-18-10-12(9-17-8-6-16-11-17)13-3-1-2-4-14(13)18/h1-4,6,8,10-11H,5,7,9H2,(H,19,20)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025111
PNG
(6-Imidazol-1-ylmethyl-benzofuran-2-carboxylic acid...)
Show SMILES OC(=O)c1cc2ccc(Cn3ccnc3)cc2o1
Show InChI InChI=1S/C13H10N2O3/c16-13(17)12-6-10-2-1-9(5-11(10)18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022119
PNG
(3-(5-Chloro-3-imidazol-1-ylmethyl-indol-1-yl)-prop...)
Show SMILES OC(=O)CCn1cc(Cn2ccnc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C15H14ClN3O2/c16-12-1-2-14-13(7-12)11(8-18-6-4-17-10-18)9-19(14)5-3-15(20)21/h1-2,4,6-7,9-10H,3,5,8H2,(H,20,21)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025115
PNG
(5-Imidazol-1-ylmethyl-benzo[b]thiophene-2-carboxyl...)
Show SMILES OC(=O)c1cc2cc(Cn3ccnc3)ccc2s1
Show InChI InChI=1S/C13H10N2O2S/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022220
PNG
(3-Chloro-2-imidazol-1-ylmethyl-benzo[b]thiophene-5...)
Show SMILES OC(=O)c1ccc2sc(Cn3ccnc3)c(Cl)c2c1
Show InChI InChI=1S/C13H9ClN2O2S/c14-12-9-5-8(13(17)18)1-2-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022226
PNG
(6-Imidazol-1-ylmethyl-5-methyl-naphthalene-1-carbo...)
Show SMILES Cc1c(Cn2ccnc2)ccc2c(cccc12)C(O)=O
Show InChI InChI=1S/C16H14N2O2/c1-11-12(9-18-8-7-17-10-18)5-6-14-13(11)3-2-4-15(14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022230
PNG
(3-Bromo-2-imidazol-1-ylmethyl-benzo[b]thiophene-5-...)
Show SMILES OC(=O)c1ccc2sc(Cn3ccnc3)c(Br)c2c1
Show InChI InChI=1S/C13H9BrN2O2S/c14-12-9-5-8(13(17)18)1-2-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50026006
PNG
(4-(3-Imidazol-1-yl-propoxy)-benzoic acid | CHEMBL3...)
Show SMILES OC(=O)c1ccc(OCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O3/c16-13(17)11-2-4-12(5-3-11)18-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2,(H,16,17)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase

J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(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

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025110
PNG
(5-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-2...)
Show SMILES Cc1c(sc2ccc(Cn3ccnc3)cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-11-6-10(7-16-5-4-15-8-16)2-3-12(11)19-13(9)14(17)18/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022215
PNG
(3-Bromo-2-imidazol-1-ylmethyl-benzofuran-5-carboxy...)
Show SMILES OC(=O)c1ccc2oc(Cn3ccnc3)c(Br)c2c1
Show InChI InChI=1S/C13H9BrN2O3/c14-12-9-5-8(13(17)18)1-2-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022126
PNG
((3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid | C...)
Show SMILES OC(=O)Cn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c18-14(19)9-17-8-11(7-16-6-5-15-10-16)12-3-1-2-4-13(12)17/h1-6,8,10H,7,9H2,(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025106
PNG
(CHEMBL42341 | CHEMBL544900 | [4-(2H-Imidazol-1-ylm...)
Show SMILES OC(=O)COc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)8-17-11-3-1-10(2-4-11)7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022223
PNG
(3-Chloro-2-imidazol-1-ylmethyl-benzofuran-5-carbox...)
Show SMILES OC(=O)c1ccc2oc(Cn3ccnc3)c(Cl)c2c1
Show InChI InChI=1S/C13H9ClN2O3/c14-12-9-5-8(13(17)18)1-2-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022221
PNG
(2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-car...)
Show SMILES Cc1c(Cn2ccnc2)n(C)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C15H15N3O2/c1-10-12-7-11(15(19)20)3-4-13(12)17(2)14(10)8-18-6-5-16-9-18/h3-7,9H,8H2,1-2H3,(H,19,20)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50026008
PNG
(CHEMBL30766 | [4-(2-Imidazol-1-yl-ethoxy)-phenyl]-...)
Show SMILES OC(=O)Cc1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O3/c16-13(17)9-11-1-3-12(4-2-11)18-8-7-15-6-5-14-10-15/h1-6,10H,7-9H2,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase

J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025117
PNG
(6-Imidazol-1-ylmethyl-1H-indole-2-carboxylic acid ...)
Show SMILES OC(=O)c1cc2ccc(Cn3ccnc3)cc2[nH]1
Show InChI InChI=1S/C13H11N3O2/c17-13(18)12-6-10-2-1-9(5-11(10)15-12)7-16-4-3-14-8-16/h1-6,8,15H,7H2,(H,17,18)
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022222
PNG
(2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carbox...)
Show SMILES Cc1c(Cn2ccnc2)oc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O3/c1-9-11-6-10(14(17)18)2-3-12(11)19-13(9)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025107
PNG
(7-Imidazol-1-ylmethyl-benzo[b]thiophene-3-carboxyl...)
Show SMILES OC(=O)c1csc2c(Cn3ccnc3)cccc12
Show InChI InChI=1S/C13H10N2O2S/c16-13(17)11-7-18-12-9(2-1-3-10(11)12)6-15-5-4-14-8-15/h1-5,7-8H,6H2,(H,16,17)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022229
PNG
(6-Imidazol-1-ylmethyl-naphthalene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc2cc(Cn3ccnc3)ccc2c1
Show InChI InChI=1S/C15H12N2O2/c18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17/h1-8,10H,9H2,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025121
PNG
(5-Imidazol-1-ylmethyl-benzofuran-2-carboxylic acid...)
Show SMILES OC(=O)c1cc2cc(Cn3ccnc3)ccc2o1
Show InChI InChI=1S/C13H10N2O3/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
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TBA

Curated by ChEMBL


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

J Med Chem 29: 1637-43 (1986)


BindingDB Entry DOI: 10.7270/Q2WQ02S2
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022218
PNG
(2-Imidazol-1-ylmethyl-3-methyl-1H-indole-5-carboxy...)
Show SMILES Cc1c(Cn2ccnc2)[nH]c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H13N3O2/c1-9-11-6-10(14(18)19)2-3-12(11)16-13(9)7-17-5-4-15-8-17/h2-6,8,16H,7H2,1H3,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022227
PNG
(3-Chloro-2-imidazol-1-ylmethyl-benzo[b]thiophene-6...)
Show SMILES OC(=O)c1ccc2c(Cl)c(Cn3ccnc3)sc2c1
Show InChI InChI=1S/C13H9ClN2O2S/c14-12-9-2-1-8(13(17)18)5-10(9)19-11(12)6-16-4-3-15-7-16/h1-5,7H,6H2,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022127
PNG
(3-(3-Imidazol-1-ylmethyl-5-methyl-indol-1-yl)-prop...)
Show SMILES Cc1ccc2n(CCC(O)=O)cc(Cn3ccnc3)c2c1
Show InChI InChI=1S/C16H17N3O2/c1-12-2-3-15-14(8-12)13(9-18-7-5-17-11-18)10-19(15)6-4-16(20)21/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022122
PNG
(3-(3-Imidazol-1-ylmethyl-5-methoxy-indol-1-yl)-pro...)
Show SMILES COc1ccc2n(CCC(O)=O)cc(Cn3ccnc3)c2c1
Show InChI InChI=1S/C16H17N3O3/c1-22-13-2-3-15-14(8-13)12(9-18-7-5-17-11-18)10-19(15)6-4-16(20)21/h2-3,5,7-8,10-11H,4,6,9H2,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 342-6 (1986)


BindingDB Entry DOI: 10.7270/Q2W66JSZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50022228
PNG
(2-Imidazol-1-ylmethyl-3-methylsulfanyl-benzo[b]thi...)
Show SMILES CSc1c(Cn2ccnc2)sc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C14H12N2O2S2/c1-19-13-10-6-9(14(17)18)2-3-11(10)20-12(13)7-16-5-4-15-8-16/h2-6,8H,7H2,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TXA2 synthetase from human platelets

J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
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