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Literature summary for 3.4.21.22 extracted from

  • Wang, S.; Beck, R.; Blench, T.; Burd, A.; Buxton, S.; Malic, M.; Ayele, T.; Shaikh, S.; Chahwala, S.; Chander, C.; Holland, R.; Merette, S.; Zhao, L.; Blackney, M.; Watts, A.
    Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis (2010), J. Med. Chem., 53, 1465-1472.
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli BL21(DE3) cells Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2-carbamimidoylbenzo[b]thiophen-6-yloxy)thiophen-2-ylacetic acid ethyl ester
-
Homo sapiens
2-amidino-4-iodobenzothiophene
-
Homo sapiens
2-[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]-2-(4-fluorophenyl)acetamide
-
Homo sapiens
3-(2-carbamimidoylbenzo[b]thiophen-6-yloxy)-3-(4-chlorophenyl)propionic acid methyl ester
-
Homo sapiens
4-(2-carbamimidoylbenzo[b]thiophen-6-yloxy)-4-(4-chlorophenyl) butyric acid methyl ester
-
Homo sapiens
4-(benzyloxy)-1-benzothiophene-2-carboximidamide
-
Homo sapiens
4-phenyl-1-benzothiophene-2-sulfinimidamide
-
Homo sapiens
5-(3,4-dimethoxyphenyl)benzo[b]thiophene-2-carboxamidine
-
Homo sapiens
5-(benzyloxy)-1-benzothiophene-2-carboximidamide
-
Homo sapiens
5-phenyl-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-(2-phenylethoxy)-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-(3-chloro-4-fluorobenzyloxy)benzo[b]thiophene-2-carboxamidine
-
Homo sapiens
6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-(thiophen-2-ylmethoxy)benzo[b]thiophene-2-carboxamidine
-
Homo sapiens
6-benzyloxybenzo[b]thiophene-2-carboxamidine
-
Homo sapiens
6-[(2-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(2-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(2-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(3,4-difluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(3-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(3-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(3-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(4-chloro-3-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(4-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(4-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(4-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[(4-methylbenzyl)oxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
6-[1-(4-fluorophenyl)ethoxy]-1-benzothiophene-2-carboximidamide
-
Homo sapiens
ethyl [(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]acetate
-
Homo sapiens
ethyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]acetate
-
Homo sapiens
methyl 4-[[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]methyl]benzoate
-
Homo sapiens
methyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-chlorophenyl)acetate
-
Homo sapiens
methyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-fluorophenyl)acetate
-
Homo sapiens
[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-fluorophenyl)acetic acid
-
Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
Ni-NTA column chromatography, gel filtration Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
S-2366 + H2O
-
Homo sapiens ?
-
?

Synonyms

Synonyms Comment Organism
factor IXa
-
Homo sapiens
FIXa
-
Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000003
-
(2-carbamimidoylbenzo[b]thiophen-6-yloxy)thiophen-2-ylacetic acid ethyl ester in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00002
-
methyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-chlorophenyl)acetate in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.000021
-
[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-fluorophenyl)acetic acid in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.000028
-
3-(2-carbamimidoylbenzo[b]thiophen-6-yloxy)-3-(4-chlorophenyl)propionic acid methyl ester in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.000031
-
6-(3-chloro-4-fluorobenzyloxy)benzo[b]thiophene-2-carboxamidine in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.000036
-
4-(2-carbamimidoylbenzo[b]thiophen-6-yloxy)-4-(4-chlorophenyl) butyric acid methyl ester in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00004
-
methyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy](4-fluorophenyl)acetate in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.000075
-
6-[(4-chloro-3-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00025
-
6-[(4-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00035
-
6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00035
-
6-(thiophen-2-ylmethoxy)benzo[b]thiophene-2-carboxamidine in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00045
-
6-[(4-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00045
-
6-[(3-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00045
-
6-[(3,4-difluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00068
-
6-[(3-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0007
-
6-[(4-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0008
-
6-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0009
-
6-[(3-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0009
-
6-[(4-methylbenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00095
-
2-amidino-4-iodobenzothiophene in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0015
-
4-(benzyloxy)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0016
-
4-phenyl-1-benzothiophene-2-sulfinimidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0019
-
5-(benzyloxy)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.00198
-
2-[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]-2-(4-fluorophenyl)acetamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0038
-
ethyl [(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]acetate in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0038
-
6-benzyloxybenzo[b]thiophene-2-carboxamidine in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0059
-
5-(3,4-dimethoxyphenyl)benzo[b]thiophene-2-carboxamidine in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0072
-
6-[(2-chlorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.008
-
5-phenyl-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0113
-
methyl 4-[[(2-carbamimidoyl-1-benzothiophen-6-yl)oxy]methyl]benzoate in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0113
-
6-[1-(4-fluorophenyl)ethoxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0119
-
ethyl [(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]acetate in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0216
-
6-(2-phenylethoxy)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.023
-
6-[(2-fluorobenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0242
-
6-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens
0.0269
-
6-[(2-methoxybenzyl)oxy]-1-benzothiophene-2-carboximidamide in 50 mM Tris, 100 mM NaCl, 5 mM CaCl2, 0.5% (w/v) PEG6000 (pH 7.4), at 22┬░C Homo sapiens