BDBM50171991 5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-ethyl-2,3-dihydro-benzofuran-2-carboxylic acid::CHEMBL190968

SMILES: CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O

InChI Key: InChIKey=HHBHDUVYOAOZPO-UHFFFAOYSA-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 = 50171991   

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))	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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	4.33E+3	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
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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	280	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))	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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))	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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	9	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against human 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))	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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; 56% 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 (Canis familiaris)	BDBM50171991 (5-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-2-et...) Show SMILES CCC1(Cc2cc(OCCCOc3ccc(cc3Cl)C(C)(C)C)ccc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-5-24(22(26)27)15-16-13-18(8-10-20(16)30-24)28-11-6-12-29-21-9-7-17(14-19(21)25)23(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,27)	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	20	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