BDBM50421632 CHEMBL342245
SMILES: C\C=C(/C)C(=O)N[C@H]1C(C[C@]2(C)[C@H]3CC[C@@]4(C)C(CC=C4[C@H](C)N(C)C)[C@@H]3CCC2[C@H]1OC(C)=O)OC(C)=O
InChI Key: InChIKey=SHJJWNZZBFZGIB-GOBYDMEKSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50421632 (CHEMBL342245) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase | Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG | |||||||||||
More data for this Ligand-Target Pair |