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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 = 'BDBM50161711'   
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))
BDBM50161711
PNG
(CHEMBL360498 | [4-(4-Benzoyl-piperazin-1-yl)-pheny...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C32H26N2O4S/c35-25-12-8-22(9-13-25)31-29(27-15-14-26(36)20-28(27)39-31)30(37)21-6-10-24(11-7-21)33-16-18-34(19-17-33)32(38)23-4-2-1-3-5-23/h1-15,20,35-36H,16-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25.3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


Bioorg Med Chem Lett 15: 1505-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.074
BindingDB Entry DOI: 10.7270/Q2D21X4C
More data for this
Ligand-Target Pair