BindingDB logo
myBDB logout

BDBM42335 3-acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid::3-acetyl-2-(3-methylphenyl)-4-thiazolidinecarboxylic acid::3-acetyl-2-(m-tolyl)thiazolidine-4-carboxylic acid::3-ethanoyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid::MLS000043420::SMR000020237::cid_3238943

SMILES: CC(=O)N1C(CSC1c1cccc(C)c1)C(O)=O

InChI Key: InChIKey=NSPMXKUWUQZFIF-UHFFFAOYSA-N

Data: 1 EC50

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 = 42335   
Target
(Institution)
LigandTarget
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
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42335
PNG
(3-acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-car...)
Show SMILES CC(=O)N1C(CSC1c1cccc(C)c1)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8-4-3-5-10(6-8)12-14(9(2)15)11(7-18-12)13(16)17/h3-6,11-12H,7H2,1-2H3,(H,16,17)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


Citation and Details
More data for this
Ligand-Target Pair