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Target
Cholinesterase
Ligand
BDBM50467898
Substrate
n/a
Meas. Tech.
ChEMBL_1797269 (CHEMBL4269386)
IC50
26±n/a nM
Citation
 Lopes, JPB; Silva, L; da Costa Franarin, G; Antonio Ceschi, M; Seibert Lüdtke, D; Ferreira Dantas, R; de Salles, CMC; Paes Silva-Jr, F; Roberto Senger, M; Alvim Guedes, I; Emmanuel Dardenne, L Design, synthesis, cholinesterase inhibition and molecular modelling study of novel tacrine hybrids with carbohydrate derivatives. Bioorg Med Chem 26:5566-5577 (2018) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | Bche | Butyrylcholine esterase | Butyrylcholinesterase | CHLE_MOUSE | Choline esterase II | Pseudocholinesterase
Type:
Protein
Mol. Mass.:
68465.99
Organism:
Mus musculus (Mouse)
Description:
Q03311
Residue:
603
Sequence:
MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQEILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDDVIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLGRRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIYSKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESCTAL
  
Inhibitor
Name:
BDBM50467898
Synonyms:
CHEMBL4282214
Type:
Small organic molecule
Emp. Form.:
C34H51N3O5
Mol. Mass.:
581.7858
SMILES:
[H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r|
Structure:
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