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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)' and Ligand = 'BDBM50382163'   
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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (Human))
BDBM50382163
PNG
(CHEMBL2023820)
Show SMILES OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1
Show InChI InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay


Bioorg Med Chem Lett 22: 3492-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.085
BindingDB Entry DOI: 10.7270/Q24M95JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)