BDBM50130209 CHEMBL3632853
SMILES: COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)[C@@H](CC[C@]4(C)[C@@]3(O)Cc2c(=O)o1)OC(C)=O
InChI Key: InChIKey=LHKWCVMCNOROFZ-MCPFUKIPSA-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)) | BDBM50130209 (CHEMBL3632853) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alchemical Research, LLC Curated by ChEMBL | Assay Description Inhibition of human AChE | Bioorg Med Chem Lett 25: 4848-53 (2015) BindingDB Entry DOI: 10.7270/Q2668G1T | |||||||||||
More data for this Ligand-Target Pair |