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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 = 'BDBM50239401'   
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))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to cortisol by SPA assay


J Med Chem 51: 4851-7 (2008)


Article DOI: 10.1021/jm800369f
BindingDB Entry DOI: 10.7270/Q25X28RD
More data for this
Ligand-Target Pair