BDBM50236906 CHEMBL4072973

SMILES CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3

InChI Key InChIKey=FNVRQJZWEFVUOH-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50236906   

TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50236906(CHEMBL4072973)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase X, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50236906(CHEMBL4072973)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of full length recombinant human ALDH1B1 expressed in Escherichia coli TunerDE3 assessed as reduction in dehydrogenase activity by measuri...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetRetinal dehydrogenase 2(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50236906(CHEMBL4072973)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of full length recombinant human ALDH1A2 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50236906(CHEMBL4072973)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length recombinant human ALDH1A3 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed