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BDBM50276837 CHEMBL4159675

SMILES: Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12

InChI Key: InChIKey=CRUSMZQUOVBJSL-JJFYIABZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276837   
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
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50276837
PNG
(CHEMBL4159675)
Show SMILES Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12
Show InChI InChI=1S/C26H23ClF3N5O5S2/c1-15-19-10-16(4-7-21(19)35(31-15)13-17-5-6-18(27)12-20(17)26(28,29)30)11-22-24(37)34(25(38)41-22)14-23(36)32-42(39,40)33-8-2-3-9-33/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,32,36)/b22-11-
PDB
MMDB

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Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...


Eur J Med Chem 138: 830-853 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.015
BindingDB Entry DOI: 10.7270/Q2W098F7
More data for this
Ligand-Target Pair