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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)' and Ligand = 'BDBM103342'   
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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM103342
PNG
(US8546392, 64)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccc(NC(C)=O)c(OC)c1
Show InChI InChI=1S/C20H19NO3/c1-13(22)21-19-9-7-17(12-20(19)24-3)14-4-5-16-11-18(23-2)8-6-15(16)10-14/h4-12H,1-3H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Universitaet des Saarlandes

US Patent


Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5...


US Patent US8546392 (2013)


BindingDB Entry DOI: 10.7270/Q2WW7G8P
More data for this
Ligand-Target Pair