BDBM50132573 4-(Carboxy-phenyl-methoxy)-3,5-dimethyl-benzoic acid methyl ester::CHEMBL108974

SMILES: COC(=O)c1cc(C)c(OC(C(O)=O)c2ccccc2)c(C)c1

InChI Key: InChIKey=JYVAVMBMZCISJE-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50132573   

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))	BDBM50132573 (4-(Carboxy-phenyl-methoxy)-3,5-dimethyl-benzoic ac...) Show SMILES COC(=O)c1cc(C)c(OC(C(O)=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C18H18O5/c1-11-9-14(18(21)22-3)10-12(2)15(11)23-16(17(19)20)13-7-5-4-6-8-13/h4-10,16H,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50132573 (4-(Carboxy-phenyl-methoxy)-3,5-dimethyl-benzoic ac...) Show SMILES COC(=O)c1cc(C)c(OC(C(O)=O)c2ccccc2)c(C)c1 Show InChI InChI=1S/C18H18O5/c1-11-9-14(18(21)22-3)10-12(2)15(11)23-16(17(19)20)13-7-5-4-6-8-13/h4-10,16H,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 3185-90 (2003) BindingDB Entry DOI: 10.7270/Q2TQ6229
					More data for this Ligand-Target Pair