| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Acetylcholinesterase |
|---|
| Ligand | BDBM10620 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1558461 (CHEMBL3773337) |
|---|
| IC50 | 56100±n/a nM |
|---|
| Citation |  Pejchal, V; ?tepánková, ?; Pejchalová, M; Královec, K; Havelek, R; Ru?icková, Z; Ajani, H; Lo, R; Lep?ík, M Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors. Bioorg Med Chem24:1560-72 (2016) [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
|
|
|
|---|
| BDBM10620 |
|---|
| n/a |
|---|
| Name | BDBM10620 |
|---|
| Synonyms: | (S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl N-methyl carbamate | 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate | CHEMBL636 | ENA-713 | Ethyl-methyl-carbamic acid 3-((R)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-((S)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester | Exelon | Rivastigmine | Rivastigmine (1) | SDZ-212-713 | SDZ-ENA-713 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H22N2O2 |
|---|
| Mol. Mass. | 250.3367 |
|---|
| SMILES | [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 |
|---|
| Structure | 
|
|---|
Search and Browse
