| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Acetylcholinesterase |
|---|
| Ligand | BDBM50524424 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1893127 (CHEMBL4395048) |
|---|
| IC50 | 11800±n/a nM |
|---|
| Citation |  Oliveira, C; Bagetta, D; Cagide, F; Teixeira, J; Amorim, R; Silva, T; Garrido, J; Remião, F; Uriarte, E; Oliveira, PJ; Alcaro, S; Ortuso, F; Borges, F Benzoic acid-derived nitrones: A new class of potential acetylcholinesterase inhibitors and neuroprotective agents. Eur J Med Chem174:116-129 (2019) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Acetylcholinesterase |
|---|
| 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: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
|
|
|
|---|
| BDBM50524424 |
|---|
| n/a |
|---|
| Name | BDBM50524424 |
|---|
| Synonyms: | CHEMBL4452769 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H40N2O5 |
|---|
| Mol. Mass. | 436.5848 |
|---|
| SMILES | COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC\C=[N+](/[O-])C(C)(C)C |
|---|
| Structure | 
|
|---|
Search and Browse
