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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 = 'BDBM50121634'   
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))
BDBM50121634
PNG
(4-[2-(4-(4-Allyl-piperazin-1-yl)-6-{[3-(4-chloro-p...)
Show SMILES CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C28H36ClN7O/c1-3-16-35-18-20-36(21-19-35)28-32-26(30-15-14-23-8-12-25(37)13-9-23)31-27(33-28)34(2)17-4-5-22-6-10-24(29)11-7-22/h3,6-13,37H,1,4-5,14-21H2,2H3,(H,30,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
30n/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