Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50430780
Substrate
n/a
Meas. Tech.
ChEMBL_943015 (CHEMBL2343851)
IC50
14100±n/a nM
Citation
 Imramovský, A; Pejchal, V; Štepánková, ?; Vorcáková, K; Jampílek, J; Vanco, J; Šimunek, P; Královec, K; Brucková, L; Mandíková, J; Trejtnar, F Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors. Bioorg Med Chem 21:1735-48 (2013) [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:
BDBM50430780
Synonyms:
CHEMBL2334730
Type:
Small organic molecule
Emp. Form.:
C17H22FN3O3S
Mol. Mass.:
367.438
SMILES:
CCC[C@H](NC(=O)OCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r|
Structure:
Search PDB for entries with ligand similarity: