BDBM50459588 CHEMBL4210115

SMILES c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5

InChI Key InChIKey=IBYYWHNJSYBLSJ-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50459588   

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

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 80nMAssay Description:Inhibition of human recombinant ALDH1A1 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase family 1 member A3(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of ALDH1A3 in human PEO1 cells assessed as reduction in aldefluor positive cells incubated for 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of ALDH1A3 in human OVCAR5 cells assessed as reduction in aldefluor positive cells incubated for 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetRetinal dehydrogenase 2(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 250nMAssay Description:Inhibition of human recombinant ALDH1A2 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 80nMAssay Description:Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinal dehydrogenase 2(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 250nMAssay Description:Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50459588(CHEMBL4210115)
Affinity DataIC50: 120nMAssay Description:Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed