BDBM50029034 1-naphthalenesulfonate::alpha-naphthalenesulfonate::naphthalene-1-sulfonate::naphthalene-1-sulfonate(1-)

SMILES: [O-]S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=PSZYNBSKGUBXEH-UHFFFAOYSA-M

Data: 1 KI  1 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029034   

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...) Show SMILES [O-]S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)/p-1	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50029034

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)