Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50415465
Substrate
n/a
Meas. Tech.
ChEMBL_610789 (CHEMBL1068106)
IC50
5.89±n/a nM
Citation
 Fang, L; Jumpertz, S; Zhang, Y; Appenroth, D; Fleck, C; Mohr, K; Tränkle, C; Decker, M Hybrid molecules from xanomeline and tacrine: enhanced tacrine actions on cholinesterases and muscarinic M1 receptors. J Med Chem 53:2094-103 (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:
BDBM50415465
Synonyms:
CHEMBL589409
Type:
Small organic molecule
Emp. Form.:
C33H46N6O3S
Mol. Mass.:
606.822
SMILES:
CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4|
Structure:
Search PDB for entries with ligand similarity: