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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 267.2
BDBM50305323

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))
BDBM50305323
PNG
(7-hydroxy-4-((phenylamino)methyl)-2H-chromen-2-one...)
Show SMILES Oc1ccc2c(CNc3ccccc3)cc(=O)oc2c1
Show InChI InChI=1S/C16H13NO3/c18-13-6-7-14-11(8-16(19)20-15(14)9-13)10-17-12-4-2-1-3-5-12/h1-9,17-18H,10H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.00E+3n/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