BDBM50171990 (S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-phenoxy]-propoxy}-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL193459

SMILES: CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O

InChI Key: InChIKey=FCBSMBVOWOVEBM-NRFANRHFSA-N

Data: 2 IC50  2 EC50

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 = 50171990   

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
Peroxisome proliferator-activated receptor alpha (Canis familiaris)	BDBM50171990 ((S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O Show InChI InChI=1S/C22H23F3O6/c1-2-21(20(26)27)13-15-12-18(8-9-19(15)31-21)29-11-3-10-28-16-4-6-17(7-5-16)30-14-22(23,24)25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against canine PPAR-alpha in Gal4 transactivation assay				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171990 ((S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O Show InChI InChI=1S/C22H23F3O6/c1-2-21(20(26)27)13-15-12-18(8-9-19(15)31-21)29-11-3-10-28-16-4-6-17(7-5-16)30-14-22(23,24)25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171990 ((S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O Show InChI InChI=1S/C22H23F3O6/c1-2-21(20(26)27)13-15-12-18(8-9-19(15)31-21)29-11-3-10-28-16-4-6-17(7-5-16)30-14-22(23,24)25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-gamma				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50171990 ((S)-2-Ethyl-5-{3-[4-(2,2,2-trifluoro-ethoxy)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3)ccc2O1)C(O)=O Show InChI InChI=1S/C22H23F3O6/c1-2-21(20(26)27)13-15-12-18(8-9-19(15)31-21)29-11-3-10-28-16-4-6-17(7-5-16)30-14-22(23,24)25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,26,27)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-delta				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
					More data for this Ligand-Target Pair