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BDBM50276804 CHEMBL4171282

SMILES: OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(cc4C(F)(F)F)C(F)(F)F)ncc3c2)C1=O

InChI Key: InChIKey=TYQHYNNOGSQYJV-FMQZQXMHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276804   
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))
BDBM50276804
PNG
(CHEMBL4171282)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(cc4C(F)(F)F)C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H13F6N3O4S/c23-21(24,25)14-3-2-12(15(7-14)22(26,27)28)9-31-16-4-1-11(5-13(16)8-29-31)6-17-19(34)30(10-18(32)33)20(35)36-17/h1-8H,9-10H2,(H,32,33)/b17-6-
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 26n/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