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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 248.3
BDBM50189961
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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))
BDBM50189961
PNG
(1-(4-hydroxyphenyl)decan-1-one | CHEMBL214141)
Show SMILES CCCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h10-13,17H,2-9H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.97E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair