Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50306695
Substrate
n/a
Meas. Tech.
ChEMBL_611615 (CHEMBL1068952)
IC50
5400±n/a nM
Citation
 Dillon, GP; Gaynor, JM; Khan, D; Carolan, CG; Ryder, SA; Marquez, JF; Reidy, S; Gilmer, JF Isosorbide-based cholinesterase inhibitors; replacement of 5-ester groups leading to increased stability. Bioorg Med Chem 18:1045-53 (2010) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50306695
Synonyms:
CHEMBL603100 | Isosorbide-di-(4-nitrophenyl carbamate)
Type:
Small organic molecule
Emp. Form.:
C20H18N4O10
Mol. Mass.:
474.3777
SMILES:
[O-][N+](=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 |r|
Structure:
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