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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 = 'BDBM50475174'   
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))		BDBM50475174
PNG
(CHEMBL187400)
Show SMILES COc1ccc(cc1)C1=C(c2ccc(OCCN(C)C)cc2)c2ccccc2OCC1 |c:9|
Show InChI InChI=1S/C27H29NO3/c1-28(2)17-19-30-23-14-10-21(11-15-23)27-24(20-8-12-22(29-3)13-9-20)16-18-31-26-7-5-4-6-25(26)27/h4-15H,16-19H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Trinity College Dublin

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor positive human breast carcinoma (MCF-7) cell proliferation

J Med Chem 47: 5612-5 (2004)


Article DOI: 10.1021/jm0495834
BindingDB Entry DOI: 10.7270/Q2M0486Q
More data for this
Ligand-Target Pair