BindingDB PrimarySearch

BDBM50171999 5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]-propoxy}-2-methyl-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL192582

SMILES: CC1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1)C(O)=O

InChI Key: InChIKey=FHIQLPQRFYGADP-UHFFFAOYSA-N

Data: 2 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50171999
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	138	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 In vitro inhibitory activity against Factor Xa				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	860	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Canis familiaris)	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	42	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair