BDBM50200334 (-)-(7S,11S)-huprine H3
SMILES: CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N
InChI Key: InChIKey=UKCBMHDZLYYTMI-UHFFFAOYSA-O
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 (Bos taurus (bovine)) | BDBM50200334 ((-)-(7S,11S)-huprine H3) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of bovine erythrocyte AChE | J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S | |||||||||||
More data for this Ligand-Target Pair |