Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50130148
Substrate
n/a
Meas. Tech.
ChEBML_41425
IC50
960000±n/a nM
Citation
 Herlem, D; Martin, MT; Thal, C; Guillou, C Synthesis and structure-activity relationships of open D-Ring galanthamine analogues. Bioorg Med Chem Lett 13:2389-91 (2003) [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:
BDBM50130148
Synonyms:
10-methoxy-4-methyl-5,12-dioxa-4-azatetracyclo[9.6.1.01,13.07,18]octadeca-7(18),8,10,16-tetraen-15-ol | CHEMBL310961
Type:
Small organic molecule
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
COc1ccc2CON(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |c:13|
Structure:
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