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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50475362'   
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))		BDBM50475362
PNG
(CHEMBL193730)
Show SMILES CCc1nc2cc(O)ccc2c(Oc2cccc(\C=C\C(O)=O)c2)c1-c1ccccc1
Show InChI InChI=1S/C26H21NO4/c1-2-22-25(18-8-4-3-5-9-18)26(21-13-12-19(28)16-23(21)27-22)31-20-10-6-7-17(15-20)11-14-24(29)30/h3-16,28H,2H2,1H3,(H,29,30)/b14-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha

J Med Chem 48: 2243-7 (2005)


Article DOI: 10.1021/jm040154f
BindingDB Entry DOI: 10.7270/Q24T6N42
More data for this
Ligand-Target Pair