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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 212.2
BDBM85469

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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM85469
PNG
(Diphenyl-p-benzoquinone, 6)
Show SMILES Oc1cc(c(O)cc1C=C)-c1ccccc1
Show InChI InChI=1S/C14H12O2/c1-2-10-8-14(16)12(9-13(10)15)11-6-4-3-5-7-11/h2-9,15-16H,1H2
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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/a7.4537



Cardiff University



Assay Description
Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.


J Enzym Inhib 16: 35-45 (2001)


Article DOI: 10.1080/14756360109162353
BindingDB Entry DOI: 10.7270/Q2SX6BRB
More data for this
Ligand-Target Pair