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BDBM50388627 CHEMBL2059543

SMILES: COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc(s2)[N+]([O-])=O)cc1

InChI Key: InChIKey=KLAVHPZZDKGNJC-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388627
PNG
(CHEMBL2059543)
Show SMILES COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H24N2O5S/c1-19(2,3)26-18(22)13-20(11-14-5-7-15(25-4)8-6-14)12-16-9-10-17(27-16)21(23)24/h5-10H,11-13H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)

More data for this
Ligand-Target Pair