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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50212157'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50212157
PNG
(6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair