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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50185870'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50185870
PNG
(9a-ethyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydroflu...)
Show SMILES CCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2
Show InChI InChI=1S/C16H18O2/c1-3-16-7-6-14(18)10(2)15(16)13-5-4-12(17)8-11(13)9-16/h4-5,8,17H,3,6-7,9H2,1-2H3
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Similars

Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 16: 3489-94 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.098
BindingDB Entry DOI: 10.7270/Q2R2110X
More data for this
Ligand-Target Pair