BDBM50336759 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-3-trifluoromethylbenzoic Acid Methyl Ester::CHEMBL1671969

SMILES: COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F

InChI Key: InChIKey=CDGHAZKBGHJYNI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50336759   

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))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	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 6his-tagged ERRalpha LBD assessed as inhibition of 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of CYP2D6				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))	BDBM50336759 (4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...) Show SMILES COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17| Show InChI InChI=1S/C20H14F3NO6S/c1-28-15-7-10(8-16-17(25)24-19(27)31-16)3-5-14(15)30-13-6-4-11(18(26)29-2)9-12(13)20(21,22)23/h3-9H,1-2H3,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	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