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BDBM50241157 (Z)-5-(4'-Methoxybenzylidene)-2-thioxothiazolidin-4-one::(Z)-5-(4-Methoxybenzylidene)-2-thioxothiazolidin-4-one::(Z)-5-(4-methoxlbenzyliden)-2-thioxothiazolidin-4-one::5-(4-methoxybenzylidene)-2-thioxothiazolidin-4-one::CHEMBL224521

SMILES: COc1ccc(C=C2SC(S)=NC2=O)cc1

InChI Key: InChIKey=ORGCJYCWFZQEFX-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241157   
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
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50241157
PNG
((Z)-5-(4'-Methoxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.23E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis


Bioorg Med Chem Lett 21: 200-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.041
BindingDB Entry DOI: 10.7270/Q2ZP46C4
More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50241157
PNG
((Z)-5-(4'-Methoxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)


Article DOI: 10.1016/j.bmc.2008.11.032
BindingDB Entry DOI: 10.7270/Q2PZ58Q3
More data for this
Ligand-Target Pair