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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)
LigandTarget/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
pHTemp
°C
Choline acetylase


(Homo sapiens)
BDBM50029034
PNG
(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

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PubMed
1.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


Citation and Details
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 KpHTemp
°C
BDBM11
JPEG
BDBM50029034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.64-3.15-1.493.407.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)