Reaction Details |
| Report a problem with these data |
Target | Acetylcholinesterase |
---|
Ligand | BDBM50032387 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_633769 (CHEMBL1119333) |
---|
IC50 | 1100±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
|
|
|
BDBM50032387 |
---|
n/a |
---|
Name | BDBM50032387 |
Synonyms: | 1-Benzoyl-3-{3-[2-(benzyl-methyl-amino)-ethoxy]-propyl}-thiourea | CHEMBL101155 | N-(3-(2-(benzyl(methyl)amino)ethoxy)propylcarbamothioyl)benzamide |
Type | Small organic molecule |
Emp. Form. | C21H27N3O2S |
Mol. Mass. | 385.523 |
SMILES | CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1 |
Structure |
|