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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 317.3
BDBM50305338

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))
BDBM50305338
PNG
(3-fluoro-7-hydroxy-4-((6-methylpyridin-2-ylthio)me...)
Show SMILES Cc1cccc(SCc2c(F)c(=O)oc3cc(O)ccc23)n1
Show InChI InChI=1S/C16H12FNO3S/c1-9-3-2-4-14(18-9)22-8-12-11-6-5-10(19)7-13(11)21-16(20)15(12)17/h2-7,19H,8H2,1H3
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PC sid
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Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Sumitomo Chemical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD3 expressed in HeLa cells


Bioorg Med Chem Lett 20: 272-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.111
BindingDB Entry DOI: 10.7270/Q2SF2W8B
More data for this
Ligand-Target Pair