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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149060'   
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))
BDBM50149060
PNG
((2S,3R)-3-(4-Hydroxy-phenyl)-2-(3-piperidin-1-yl-p...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1CCCN1CCCCC1
Show InChI InChI=1S/C22H27NO3S/c24-17-8-6-16(7-9-17)22-20(5-4-14-23-12-2-1-3-13-23)26-19-11-10-18(25)15-21(19)27-22/h6-11,15,20,22,24-25H,1-5,12-14H2/t20-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha


Bioorg Med Chem Lett 14: 3747-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.100
BindingDB Entry DOI: 10.7270/Q2F18Z69
More data for this
Ligand-Target Pair