Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50313184
Substrate
n/a
Meas. Tech.
ChEMBL_616823 (CHEMBL1100207)
IC50
14.9±n/a nM
Citation
 Zhan, ZJ; Bian, HL; Wang, JW; Shan, WG Synthesis of physostigmine analogues and evaluation of their anticholinesterase activities. Bioorg Med Chem Lett 20:1532-4 (2010) [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:
BDBM50313184
Synonyms:
1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl-4-bromophenylcarbamate | CHEMBL1076615
Type:
Small organic molecule
Emp. Form.:
C20H22BrN3O2
Mol. Mass.:
416.312
SMILES:
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21 |r|
Structure:
Search PDB for entries with ligand similarity: