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Literature summary for 3.4.23.46 extracted from

  • Xu, W.; Chen, G.; Liew, O.W.; Zuo, Z.; Jiang, H.; Zhu, W.
    Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay (2009), Bioorg. Med. Chem. Lett., 19, 3188-3192.
    View publication on PubMed
Search for more literature for 3.4.23.46

Inhibitors

Inhibitors Comment Organism Structure
1-[(E)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)amino]methylidene]-3-phenylurea complete inhibition at 0.1 mM Homo sapiens
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate 75% inhibition at 0.1 mM Homo sapiens
2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide complete inhibition at 0.1 mM Homo sapiens
2-[(4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxoethyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide 83% inhibition at 0.1 mM Homo sapiens
2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide 90% inhibition at 0.1 mM Homo sapiens
2-[[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl]-N-(tricyclo[3.3.1.1(3,7)]dec-1-yl)acetamide 45% inhibition at 0.1 mM Homo sapiens
2-[[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide 80% inhibition at 0.1 mM Homo sapiens
2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl]-N-(naphthalen-2-yl)-N-phenylacetamide 68% inhibition at 0.1 mM Homo sapiens
2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone 75% inhibition at 0.1 mM Homo sapiens
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 48% inhibition at 0.1 mM Homo sapiens
4-bromo-N-[(4-bromophenyl)sulfonyl]-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide 50% inhibition at 0.1 mM Homo sapiens
Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe complete inhibition at 0.1 mM Homo sapiens
N,N'-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediamide 87% inhibition at 0.1 mM Homo sapiens
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-nitrophenyl)amino]methylidene]-10H-phenothiazine-10-carboxamide 80% inhibition at 0.1 mM Homo sapiens
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide 80% inhibition at 0.1 mM Homo sapiens
N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-4-([[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)benzamide 78% inhibition at 0.1 mM Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
rhodamine-EVNLDAEFK-quencher + H2O Homo sapiens
-
 ?
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
rhodamine-EVNLDAEFK-quencher + H2O
-
 Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
BACE-1
-
 Homo sapiens
beta-secretase
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00012
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Sta-Val-Ala-Glu-Phe
0.0028
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]acetamide
0.003
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 1-[(E)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)amino]methylidene]-3-phenylurea
0.0102
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[(6-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
0.0122
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens N,N'-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
0.02
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
0.021
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[(4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxoethyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
0.0286
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-nitrophenyl)amino]methylidene]-10H-phenothiazine-10-carboxamide
0.0345
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl [(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetate
0.05
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
0.05
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl]-N-(naphthalen-2-yl)-N-phenylacetamide
0.09
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 4-bromo-N-[(4-bromophenyl)sulfonyl]-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
0.1
-
 IC50 above 0.1 mM, in 50 mM Tris (pH 7.5), at 25°C Homo sapiens N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-4-([[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)benzamide
0.1
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone
0.1
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
0.118
-
 in 50 mM Tris (pH 7.5), at 25°C Homo sapiens 2-[[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl]-N-(tricyclo[3.3.1.1(3,7)]dec-1-yl)acetamide