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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50354963'   
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 beta


(Homo sapiens (Human))
BDBM50354963
PNG
(CHEMBL1836913)
Show SMILES CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccn[nH]1
Show InChI InChI=1S/C15H19N3O4S/c1-15(20,14-8-9-16-17-14)10-18(11-2-3-11)23(21,22)13-6-4-12(19)5-7-13/h4-9,11,19-20H,2-3,10H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.48E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair