Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM32021
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
17000±4220 nM
Comments
extracted
Citation
 Muñoz-Torrero López-Ibarra, D; Inestrosa Cantín, NM; Viayna Gaza, E; Sola Lao, I; Vázquez Cruz, S Beta-amyloid-directed multitarget compounds for the treatment of alzheimer's disease US Patent  US9238626 Publication Date 1/19/2016 
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:
BDBM32021
Synonyms:
4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | MLS000069639 | RHEIN | SMR000058210 | US20230364057, Compound 82 | US9238626, Rhein | cid_10168
Type:
Small organic molecule
Emp. Form.:
C15H8O6
Mol. Mass.:
284.2204
SMILES:
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Structure:
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