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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50154141'   
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))
BDBM50154141
PNG
(2-(3-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...)
Show SMILES Oc1cc(C#N)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H7FN2O3/c15-10-4-7(1-2-12(10)19)14-17-11-5-9(18)3-8(6-16)13(11)20-14/h1-5,18-19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50154141
PNG
(2-(3-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzooxazo...)
Show SMILES Oc1cc(C#N)c2oc(nc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H7FN2O3/c15-10-4-7(1-2-12(10)19)14-17-11-5-9(18)3-8(6-16)13(11)20-14/h1-5,18-19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand


J Med Chem 47: 5021-40 (2004)


Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5
More data for this
Ligand-Target Pair