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Target
Acetylcholinesterase
Ligand
BDBM50292573
Substrate
n/a
Meas. Tech.
ChEMBL_659615 (CHEMBL1249049)
IC50
125±n/a nM
Citation
 Chaudhaery, SS; Roy, KK; Shakya, N; Saxena, G; Sammi, SR; Nazir, A; Nath, C; Saxena, AK Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology. J Med Chem 53:6490-505 (2010) [PubMed]  Article 
Target
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:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50292573
Synonyms:
(2-Ethyl-phenyl)-carbamic acid (3aS,8aS)-1,3a,8-trimethyl-1-oxy-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester | CHEMBL519475
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
CCc1ccccc1NC(=O)Oc1ccc2N(C)[C@@H]3[C@@](C)(CC[N+]3(C)[O-])c2c1 |r|
Structure:
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