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Target
Cholinesterase
Ligand
BDBM50503819
Substrate
n/a
Meas. Tech.
ChEMBL_1812230 (CHEMBL4311690)
IC50
18260±n/a nM
Citation
 Bacalhau, P; Fernandes, L; Rosário Martins, M; Candeias, F; Carreiro, EP; López, Ó; Teresa Caldeira, A; Totobenazara, J; Guedes, RC; Burke, AJ In silico, NMR and pharmacological evaluation of an hydroxyoxindole cholinesterase inhibitor. Bioorg Med Chem 27:354-363 (2019) [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:
BDBM50503819
Synonyms:
CHEMBL4565335
Type:
Small organic molecule
Emp. Form.:
C20H23ClN2O2
Mol. Mass.:
358.862
SMILES:
Cl.OC1(C(=O)N(CC2CCNCC2)c2ccccc12)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: