BDBM50533576 CHEMBL4551048::US11459295, Compound LM5752(+-) 4

SMILES C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O

InChI Key InChIKey=DZFJDDMBLJXLJL-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50533576   

TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50533576(CHEMBL4551048 | US11459295, Compound LM5752(+-) 4)
Affinity DataIC50: 60nMAssay Description:Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50533576(CHEMBL4551048 | US11459295, Compound LM5752(+-) 4)
Affinity DataIC50: 60nMAssay Description:the inhibitory potency of the individual compounds against the AKR1C isoforms was determined by monitoring the NADP+ dependent oxidation of S-tetralo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2022
Entry Details
US Patent

TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50533576(CHEMBL4551048 | US11459295, Compound LM5752(+-) 4)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human recombinant AKR1C2 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50533576(CHEMBL4551048 | US11459295, Compound LM5752(+-) 4)
Affinity DataIC50: 1.50E+3nMAssay Description:the inhibitory potency of the individual compounds against the AKR1C isoforms was determined by monitoring the NADP+ dependent oxidation of S-tetralo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2022
Entry Details
US Patent