BDBM50438583 CHEMBL2413863

SMILES Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO

InChI Key InChIKey=HBSLSZOJAXYBQI-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50438583   

TargetAldo-keto reductase family 1 member C3(Human)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM50438583(CHEMBL2413863)
Affinity DataIC50: 58nMAssay Description:Inhibition of human 17beta-HSD5 expressed in human CWR22R cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM50438583(CHEMBL2413863)
Affinity DataIC50: 37nMAssay Description:Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)