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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.3
BDBM50305330
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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))
BDBM50305330
PNG
(7-hydroxy-4-((thiazol-2-ylthio)methyl)-2H-chromen-...)
Show SMILES Oc1ccc2c(CSc3nccs3)cc(=O)oc2c1
Show InChI InChI=1S/C13H9NO3S2/c15-9-1-2-10-8(5-12(16)17-11(10)6-9)7-19-13-14-3-4-18-13/h1-6,15H,7H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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