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Target
Cholinesterase
Ligand
BDBM50447030
Substrate
n/a
Meas. Tech.
ChEMBL_1898860 (CHEMBL4400975)
IC50
4800±n/a nM
Citation
 González-Naranjo, P; Pérez-Macias, N; Pérez, C; Roca, C; Vaca, G; Girón, R; Sánchez-Robles, E; Martín-Fontelles, MI; de Ceballos, ML; Martin-Requero, A; Campillo, NE; Páez, JA Indazolylketones as new multitarget cannabinoid drugs. Eur J Med Chem 166:90-107 (2019) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50447030
Synonyms:
CHEMBL3116280
Type:
Small organic molecule
Emp. Form.:
C23H31N3O2
Mol. Mass.:
381.5111
SMILES:
COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: