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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 192.1
BDBM50371164

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371164
PNG
(CHEMBL413980)
Show SMILES OC(=O)CC1=COc2ccccc2O1 |t:4|
Show InChI InChI=1S/C10H8O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,6H,5H2,(H,11,12)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair