BDBM50171987 2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy)-propoxy]-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL192774

SMILES: OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1

InChI Key: InChIKey=YPBFUAJSFFYEOF-UHFFFAOYSA-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 = 50171987   

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 (PPAR alpha) (Homo sapiens (Human))	BDBM50171987 (2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...) Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)	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 alpha (Canis familiaris)	BDBM50171987 (2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...) Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)	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	>3.00E+3	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 (Homo sapiens (Human))	BDBM50171987 (2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...) Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)	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	>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-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))	BDBM50171987 (2-Benzyl-5-[3-(2-chloro-4-trifluoromethoxy-phenoxy...) Show SMILES OC(=O)C1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 Show InChI InChI=1S/C26H22ClF3O6/c27-21-14-20(35-26(28,29)30)8-10-23(21)34-12-4-11-33-19-7-9-22-18(13-19)16-25(36-22,24(31)32)15-17-5-2-1-3-6-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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-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