BDBM50601408 CHEMBL5195968

SMILES OC(=O)CN1C(=O)S\C(=C\c2ccc(OCc3nc4ccccc4c(=O)n3-c3ccccc3)cc2)C1=O

InChI Key InChIKey=LVKFKUSHWUCWDP-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50601408   

TargetAldehyde dehydrogenase 1A1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50601408(CHEMBL5195968)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of human ALDH1A1 expressed in Escherichia coli BL21(DE3) pLys cell in presence of NAD+ by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50601408(CHEMBL5195968)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human ALDH1A3 expressed in Escherichia coli BL21(DE3) pLys cell in presence of NAD+ by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed