BDBM50335587 31-demethylbuxaminol::CHEMBL1651045
SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](C)[C@H](CCC4=CC3=CC[C@]12C)N(C)C)N(C)C
InChI Key: InChIKey=KDKFZGZVPVIBCE-XZSYSDQVSA-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)) | BDBM50335587 (31-demethylbuxaminol | CHEMBL1651045) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Winnipeg Curated by ChEMBL | Assay Description Inhibition of AChE by Ellman's method | J Nat Prod 73: 1858-62 (2010) Article DOI: 10.1021/np100494u BindingDB Entry DOI: 10.7270/Q2TM7BC0 | |||||||||||
More data for this Ligand-Target Pair |