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SMILES: CCOc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=RKQWYTCBNBITFM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336743   
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
Steroid hormone receptor ERR1


(Homo sapiens (Human))		BDBM50336743
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-etho...)
Show SMILES CCOc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F |w:6.5,c:10|
Show InChI InChI=1S/C20H13F3N2O4S/c1-2-28-16-7-11(8-17-18(26)25-19(27)30-17)3-6-15(16)29-13-5-4-12(10-24)14(9-13)20(21,22)23/h3-9H,2H2,1H3,(H,25,26,27)
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n/an/a 350n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay

J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair