BDBM50029034 1-naphthalenesulfonate::alpha-naphthalenesulfonate::naphthalene-1-sulfonate::naphthalene-1-sulfonate(1-)
SMILES: [O-]S(=O)(=O)c1cccc2ccccc12
InChI Key: InChIKey=PSZYNBSKGUBXEH-UHFFFAOYSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Choline acetylase (Homo sapiens (Human)) | BDBM50029034 (1-naphthalenesulfonate | alpha-naphthalenesulfonat...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia | J Med Chem 24: 1534-7 (1982) BindingDB Entry DOI: 10.7270/Q2T43TMK | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM50029034 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -4.64 | -3.15 | -1.49 | 3.40 | 7.20 | 25 | |
Himeji Institute of Technology | J Am Chem Soc 115: 475-481 (1993) |