BDBM50336750 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-3-nitrobenzonitrile::CHEMBL1671958

SMILES: COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N

InChI Key: InChIKey=IJNPJRCNSKGAMS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336750   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Estrogen-related receptor alpha (Homo sapiens (Human))	BDBM50336750 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H11N3O6S/c1-26-15-7-10(8-16-17(22)20-18(23)28-16)2-5-14(15)27-13-4-3-11(9-19)6-12(13)21(24)25/h2-8H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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
Estrogen-related receptor alpha (Homo sapiens (Human))	BDBM50336750 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)C#N |w:5.4,c:9| Show InChI InChI=1S/C18H11N3O6S/c1-26-15-7-10(8-16-17(22)20-18(23)28-16)2-5-14(15)27-13-4-3-11(9-19)6-12(13)21(24)25/h2-8H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene 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