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Target
Carboxylic ester hydrolase
Ligand
BDBM8964
Substrate
n/a
Meas. Tech.
ChEMBL_403197 (CHEMBL869257)
IC50
105±n/a nM
Citation
 Rydberg, EH; Brumshtein, B; Greenblatt, HM; Wong, DM; Shaya, D; Williams, LD; Carlier, PR; Pang, YP; Silman, I; Sussman, JL Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J Med Chem 49:5491-500 (2006) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67776.22
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFPGNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEKLVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYNIICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAPQCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
  
Inhibitor
Name:
BDBM8964
Synonyms:
CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine | Tacrine Dimer 3c | Tacrine-Based Inhibitor 2g
Type:
Small organic molecule
Emp. Form.:
C34H42N4
Mol. Mass.:
506.7241
SMILES:
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Structure:
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