Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50346411
Substrate
n/a
Meas. Tech.
ChEMBL_751135 (CHEMBL1787217)
IC50
750±n/a nM
Citation
 Tasso, B; Catto, M; Nicolotti, O; Novelli, F; Tonelli, M; Giangreco, I; Pisani, L; Sparatore, A; Boido, V; Carotti, A; Sparatore, F Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer's disease. Eur J Med Chem 46:2170-84 (2011) [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:
BDBM50346411
Synonyms:
3-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)-1-(10H-phenothiazin-10-yl)propan-1-one | CHEMBL1782736
Type:
Small organic molecule
Emp. Form.:
C25H30N2OS2
Mol. Mass.:
438.648
SMILES:
O=C(CCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: