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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 = 'BDBM50121635'   
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))		BDBM50121635
PNG
(4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C33H38ClN7O3S/c1-39(20-5-8-27-9-13-29(34)14-10-27)32-36-31(35-19-17-28-11-15-30(42)16-12-28)37-33(38-32)40-21-23-41(24-22-40)45(43,44)25-18-26-6-3-2-4-7-26/h2-4,6-7,9-16,18,25,42H,5,8,17,19-24H2,1H3,(H,35,36,37,38)/b25-18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 225n/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