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Literature summary extracted from

  • Larik, F.A.; Shah, M.S.; Saeed, A.; Shah, H.S.; Channar, P.A.; Bolte, M.; Iqbal, J.
    New cholinesterase inhibitors for Alzheimers disease structure activity relationship, kinetics and molecular docking studies of 1-butanoyl-3-arylthiourea derivatives (2018), Int. J. Biol. Macromol., 116, 144-150 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.1.7 1-butanoyl-3-(2,6-dimethylphenyl)thiourea
-
Homo sapiens
3.1.1.7 1-butanoyl-3-(3-methoxyphenyl)thiourea
-
Homo sapiens
3.1.1.7 1-butanoyl-3-(4-chlorophenyl)thiourea
-
Homo sapiens
3.1.1.7 1-butanoyl-3-benzylthiourea
-
Homo sapiens
3.1.1.7 additional information structure-activity relationships, kinetics and molecular docking studies of 1-butanoyl-3-arylthiourea derivatives, overview Homo sapiens
3.1.1.7 N-(1,3-thiazol-5-ylcarbamothioyl)butanamide
-
Homo sapiens
3.1.1.7 N-[(2,3-dichlorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(2,4-dichlorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(2,6-dichloro-4-fluorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(2-methoxyphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(3-nitrophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(4-methoxyphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(4-methylphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 N-[(4-nitrophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.7 neostigmine
-
Homo sapiens
3.1.1.8 1-butanoyl-3-(2,6-dimethylphenyl) thiourea
-
Homo sapiens
3.1.1.8 1-butanoyl-3-(3-methoxyphenyl)thiourea
-
Homo sapiens
3.1.1.8 1-butanoyl-3-(4-chlorophenyl)thiourea
-
Homo sapiens
3.1.1.8 1-butanoyl-3-benzylthiourea
-
Homo sapiens
3.1.1.8 galantamine
-
Homo sapiens
3.1.1.8 additional information structure-activity relationships, kinetics and molecular docking studies of 1-butanoyl-3-arylthiourea derivatives, overview Homo sapiens
3.1.1.8 N-(1,3-thiazol-5-ylcarbamothioyl)butanamide
-
Homo sapiens
3.1.1.8 N-[(2,3-dichlorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(2,4-dichlorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(2,6-dichloro-4-fluorophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(2-methoxyphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(3-nitrophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(4-methoxyphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(4-methylphenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 N-[(4-nitrophenyl)carbamothioyl]butanamide
-
Homo sapiens
3.1.1.8 neostigmine
-
Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3.1.1.7 acetylcholine + H2O Homo sapiens
-
choline + acetate
-
?
3.1.1.8 butyrylcholine + H2O Homo sapiens
-
choline + butyrate
-
?

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.7 Homo sapiens P22303
-
-
3.1.1.8 Homo sapiens P06276
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.7 acetylcholine + H2O
-
Homo sapiens choline + acetate
-
?
3.1.1.8 butyrylcholine + H2O
-
Homo sapiens choline + butyrate
-
?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.7 AChE
-
Homo sapiens
3.1.1.8 BuChE
-
Homo sapiens
3.1.1.8 butyrylcholinesterase
-
Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.1.1.7 0.00892
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(2,6-dimethylphenyl)thiourea
3.1.1.7 0.0104
-
pH 7.7, 37°C Homo sapiens N-(1,3-thiazol-5-ylcarbamothioyl)butanamide
3.1.1.7 0.0117
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(4-chlorophenyl)thiourea
3.1.1.7 0.0222
-
pH 7.7, 37°C Homo sapiens neostigmine
3.1.1.7 0.0264
-
pH 7.7, 37°C Homo sapiens N-[(3-nitrophenyl)carbamothioyl]butanamide
3.1.1.7 0.0297
-
pH 7.7, 37°C Homo sapiens N-[(4-nitrophenyl)carbamothioyl]butanamide
3.1.1.7 0.0343
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(3-methoxyphenyl)thiourea
3.1.1.7 0.0403
-
pH 7.7, 37°C Homo sapiens N-[(2,6-dichloro-4-fluorophenyl)carbamothioyl]butanamide
3.1.1.7 0.0425
-
pH 7.7, 37°C Homo sapiens N-[(4-methylphenyl)carbamothioyl]butanamide
3.1.1.7 0.0427
-
pH 7.7, 37°C Homo sapiens N-[(2,4-dichlorophenyl)carbamothioyl]butanamide
3.1.1.7 0.0491
-
pH 7.7, 37°C Homo sapiens N-[(4-methoxyphenyl)carbamothioyl]butanamide
3.1.1.7 0.0589
-
pH 7.7, 37°C Homo sapiens N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
3.1.1.7 0.0966
-
pH 7.7, 37°C Homo sapiens N-[(2-methoxyphenyl)carbamothioyl]butanamide
3.1.1.7 0.1325
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-benzylthiourea
3.1.1.7 0.158
-
pH 7.7, 37°C Homo sapiens N-[(2,3-dichlorophenyl)carbamothioyl]butanamide
3.1.1.8 0.00696
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(3-methoxyphenyl)thiourea
3.1.1.8 0.0155
-
pH 7.7, 37°C Homo sapiens N-[(2,4-dichlorophenyl)carbamothioyl]butanamide
3.1.1.8 0.0162
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(4-chlorophenyl)thiourea
3.1.1.8 0.0231
-
pH 7.7, 37°C Homo sapiens N-[(2,6-dichloro-4-fluorophenyl)carbamothioyl]butanamide
3.1.1.8 0.0365
-
pH 7.7, 37°C Homo sapiens N-(1,3-thiazol-5-ylcarbamothioyl)butanamide
3.1.1.8 0.0366
-
pH 7.7, 37°C Homo sapiens N-[(4-methylphenyl)carbamothioyl]butanamide
3.1.1.8 0.0439
-
pH 7.7, 37°C Homo sapiens N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
3.1.1.8 0.0496
-
pH 7.7, 37°C Homo sapiens neostigmine
3.1.1.8 0.0645
-
pH 7.7, 37°C Homo sapiens N-[(3-nitrophenyl)carbamothioyl]butanamide
3.1.1.8 0.0681
-
pH 7.7, 37°C Homo sapiens N-[(4-nitrophenyl)carbamothioyl]butanamide
3.1.1.8 0.0741
-
pH 7.7, 37°C Homo sapiens N-[(4-methoxyphenyl)carbamothioyl]butanamide
3.1.1.8 0.0758
-
pH 7.7, 37°C Homo sapiens N-[(2-methoxyphenyl)carbamothioyl]butanamide
3.1.1.8 0.113
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-benzylthiourea
3.1.1.8 0.121
-
pH 7.7, 37°C Homo sapiens 1-butanoyl-3-(2,6-dimethylphenyl) thiourea
3.1.1.8 0.15
-
pH 7.7, 37°C Homo sapiens N-[(2,3-dichlorophenyl)carbamothioyl]butanamide
3.1.1.8 6.6
-
pH 8.0, 25°C Homo sapiens galantamine