Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM233116
Substrate
n/a
Meas. Tech.
Acetylcholinesterase Inhibition Assay
pH
8±0
Temperature
303.15±0 K
IC50
6.8e+3±n/a nM
Citation
 Zelík, P; Lukesová, A; Cejka, J; Budesínský, M; Havlícek, V; Cegan, A; Kopecký, J Nostotrebin 6, a bis(cyclopentenedione) with cholinesterase inhibitory activity isolated from Nostoc sp. str. Lukesová 27/97. J Enzyme Inhib Med Chem 25:414-20 (2010) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:
Protein
Mol. Mass.:
68842.83
Organism:
Equus caballus (Horse)
Description:
Q9N1N9
Residue:
602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM233116
Synonyms:
Nostotrebin 6
Type:
Small organic molecule
Emp. Form.:
C50H38O10
Mol. Mass.:
798.8307
SMILES:
Oc1ccc(CC2=C(Cc3ccc(O)cc3)C(=O)C(C2=O)(c2ccc(O)cc2)C2(C(=O)C(Cc3ccc(O)cc3)=C(Cc3ccc(O)cc3)C2=O)c2ccc(O)cc2)cc1 |c:6,t:43|
Structure:
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