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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor gamma' and Ligand = 'BDBM50193255'   
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-related receptor gamma


(Homo sapiens (Human))
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 669n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair