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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol receptor beta (ERβ)' and Ligand = 'BDBM50121636'   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121636
PNG
(1-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CCC(=O)CCN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H40ClN7O2/c1-3-26(39)15-18-37-19-21-38(22-20-37)30-34-28(32-16-14-24-8-12-27(40)13-9-24)33-29(35-30)36(2)17-4-5-23-6-10-25(31)11-7-23/h6-13,40H,3-5,14-22H2,1-2H3,(H,32,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
40n/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