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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 = 'BDBM50121621'   
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))		BDBM50121621
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C31H37ClN8O/c1-38(18-2-3-24-4-8-27(32)9-5-24)30-35-29(34-17-14-25-6-10-28(41)11-7-25)36-31(37-30)40-21-19-39(20-22-40)23-26-12-15-33-16-13-26/h4-13,15-16,41H,2-3,14,17-23H2,1H3,(H,34,35,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 115n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand

J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair