Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50146862
Substrate
n/a
Meas. Tech.
ChEMBL_41569 (CHEMBL655132)
IC50
>50000±n/a nM
Citation
 Meier, C; Ducho, C; Görbig, U; Esnouf, R; Balzarini, J Interaction of cycloSal-pronucleotides with cholinesterases from different origins. A structure-activity relationship. J Med Chem 47:2839-52 (2004) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | Bche | Butyrylcholine esterase | Butyrylcholinesterase | CHLE_MOUSE | Choline esterase II | Pseudocholinesterase
Type:
Protein
Mol. Mass.:
68465.99
Organism:
Mus musculus (Mouse)
Description:
Q03311
Residue:
603
Sequence:
MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQEILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDDVIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLGRRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIYSKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESCTAL
  
Inhibitor
Name:
BDBM50146862
Synonyms:
1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione | CHEMBL97501
Type:
Small organic molecule
Emp. Form.:
C18H20N5O7P
Mol. Mass.:
449.3545
SMILES:
Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12
Structure:
Search PDB for entries with ligand similarity: