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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 = 'BDBM50193262'   
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))
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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PC cid
PC sid
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Article
PubMed
n/an/a 111n/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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/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