Reaction Details |
| Report a problem with these data |
Target | Acetylcholinesterase |
---|
Ligand | BDBM50032162 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_633769 (CHEMBL1119333) |
---|
IC50 | 0.33±n/a nM |
---|
Citation | Lv, W; Xue, Y Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods. Eur J Med Chem45:1167-72 (2010) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Acetylcholinesterase |
---|
Name: | Acetylcholinesterase |
Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
Type: | Enzyme |
Mol. Mass.: | 67792.70 |
Organism: | Homo sapiens (Human) |
Description: | P22303 |
Residue: | 614 |
Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
|
|
|
BDBM50032162 |
---|
n/a |
---|
Name | BDBM50032162 |
Synonyms: | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-isoxazolo[4,5-f]indol-6-one; compound with (Z)-but-2-enedioic acid | CHEMBL329012 | CHEMBL359570 |
Type | Small organic molecule |
Emp. Form. | C23H25N3O2 |
Mol. Mass. | 375.4635 |
SMILES | O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 |
Structure |
|