BDBM50171895 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid::(S)-2-(4-Ethyl-phenoxy)-3-phenyl-propionic acid::CHEMBL191060

SMILES: CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=CJMVTSLLWMPEKQ-INIZCTEOSA-N

Data: 5 EC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50171895   

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))	BDBM50171895 ((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...) Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARalpha expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50171895 ((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...) Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against murine PPARalpha in transactivation assay				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171895 ((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...) Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171895 ((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...) Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	708	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50171895 ((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...) Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARgamma expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair				3D Structure (crystal)