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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 = 'BDBM485061'   
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))
BDBM485061
PNG
(US10934303, Cmpd No. 18n | US10934303, Example 33 ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C32H37BrN2O3/c1-32(2,3)38-31(37)35-21-19-34(20-22-35)28-17-13-26(14-18-28)30(25-11-15-27(33)16-12-25)29(10-7-23-36)24-8-5-4-6-9-24/h4-6,8-9,11-18,36H,7,10,19-23H2,1-3H3/b30-29-
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PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485061
PNG
(US10934303, Cmpd No. 18n | US10934303, Example 33 ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C32H37BrN2O3/c1-32(2,3)38-31(37)35-21-19-34(20-22-35)28-17-13-26(14-18-28)30(25-11-15-27(33)16-12-25)29(10-7-23-36)24-8-5-4-6-9-24/h4-6,8-9,11-18,36H,7,10,19-23H2,1-3H3/b30-29-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...


US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair