BDBM50172004 (S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-propoxy}-2-ethyl-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL189110

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

InChI Key: InChIKey=IUZYEVSRBUMFHK-NRFANRHFSA-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 = 50172004   

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))	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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 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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Canis familiaris)	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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	<1	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
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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 (Homo sapiens (Human))	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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 Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 28% response at 3 uM				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))	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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	26	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))	BDBM50172004 ((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...) Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/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 inhibitory activity against 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