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Target
Cholinesterase
Ligand
BDBM50456478
Substrate
n/a
Meas. Tech.
ChEMBL_1757258 (CHEMBL4192266)
IC50
77890±n/a nM
Citation
 Nisa, MU; Munawar, MA; Iqbal, A; Ahmed, A; Ashraf, M; Gardener, QA; Khan, MA Synthesis of novel 5-(aroylhydrazinocarbonyl)escitalopram as cholinesterase inhibitors. Eur J Med Chem 138:396-406 (2017) [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:
BDBM50456478
Synonyms:
CHEMBL4208382
Type:
Small organic molecule
Emp. Form.:
C27H27FIN3O3
Mol. Mass.:
587.4245
SMILES:
CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccccc1I)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: