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Target
Cholinesterase
Ligand
BDBM50567307
Substrate
n/a
Meas. Tech.
ChEMBL_2102748 (CHEMBL4811144)
IC50
14890±n/a nM
Citation
 Singh, YP; Shankar, G; Jahan, S; Singh, G; Kumar, N; Barik, A; Upadhyay, P; Singh, L; Kamble, K; Singh, GK; Tiwari, S; Garg, P; Gupta, S; Modi, G Further SAR studies on natural template based neuroprotective molecules for the treatment of Alzheimer's disease. Bioorg Med Chem 46:0 (2021) [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:
BDBM50567307
Synonyms:
CHEMBL4863005
Type:
Small organic molecule
Emp. Form.:
C22H23N3O3
Mol. Mass.:
377.4363
SMILES:
COc1cc(\C=C\C(=O)N2CCN(Cc3ccccc3C#N)CC2)ccc1O
Structure:
Search PDB for entries with ligand similarity: