Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50281388
Substrate
n/a
Meas. Tech.
ChEMBL_1829184 (CHEMBL4329058)
IC50
1690±n/a nM
Citation
 ?a?ewska, D; Olejarz-Maciej, A; Kaleta, M; Bajda, M; Siwek, A; Karcz, T; Doroz-P?onka, A; Cicho?, U; Kuder, K; Kie?-Kononowicz, K 4-tert-Pentylphenoxyalkyl derivatives - Histamine H Bioorg Med Chem Lett 28:3596-3600 (2018) [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:
BDBM50281388
Synonyms:
CHEMBL4173258
Type:
Small organic molecule
Emp. Form.:
C22H31N3O
Mol. Mass.:
353.501
SMILES:
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Structure:
Search PDB for entries with ligand similarity: