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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50146221'   
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))
BDBM50146221
PNG
(2-Phenyl-1-thiophen-2-yl-1,2,3,4-tetrahydro-isoqui...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C19H17NOS/c21-16-8-9-17-14(13-16)10-11-20(15-5-2-1-3-6-15)19(17)18-7-4-12-22-18/h1-9,12-13,19,21H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells


Bioorg Med Chem Lett 14: 2729-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.077
BindingDB Entry DOI: 10.7270/Q2J67GBK
More data for this
Ligand-Target Pair