Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM50293448
Substrate/Competitorn/a
Meas. Tech.ChEMBL_572859 (CHEMBL1033535)
IC50 8140±n/a nM
Citation Tang, HWei, YBZhang, CNing, FXQiao, WHuang, SLMa, LHuang, ZSGu, LQ Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinesterase/butyrylcholinesterase. Eur J Med Chem44:2523-32 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:Enzyme
Mol. Mass.:65643.35
Organism:Equus caballus (Horse)
Description:P81908
Residue:574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50293448
n/a
NameBDBM50293448
Synonyms:CHEMBL550076 | N,N-diethyl-N-methyl-2-(7-oxo-7H-dibenzo[de,g]quinoline-4-carboxamido)ethanaminium iodide
TypeSmall organic molecule
Emp. Form.C24H26N3O2
Mol. Mass.388.4816
SMILESCC[N+](C)(CC)CCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: