BDBM50171988 (S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-propoxy]-2-ethyl-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL190603

SMILES: CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O

InChI Key: InChIKey=NYVCWCQOBZBISN-FQEVSTJZSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 50171988   

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 (Homo sapiens (Human))	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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 Binding affinity of compound towards Factor Xa				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))	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of compound towards Factor Xa				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)	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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	2	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 delta (Homo sapiens (Human))	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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	25	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))	BDBM50171988 ((S)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)31-20)28-8-3-9-29-18-7-5-15(11-16(18)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)/t20-/m0/s1	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
					More data for this Ligand-Target Pair