Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50307924
Substrate
n/a
Meas. Tech.
ChEMBL_608063 (CHEMBL1072133)
IC50
11000±n/a nM
Citation
 Alptüzün, V; Prinz, M; Hörr, V; Scheiber, J; Radacki, K; Fallarero, A; Vuorela, P; Engels, B; Braunschweig, H; Erciyas, E; Holzgrabe, U Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with beta-amyloid, acetylcholine, and butyrylcholine esterases. Bioorg Med Chem 18:2049-59 (2010) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50307924
Synonyms:
4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,4-dihydropyridine | CHEMBL598649
Type:
Small organic molecule
Emp. Form.:
C13H11Cl2N3
Mol. Mass.:
280.153
SMILES:
Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)|
Structure:
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