BDBM50462437 CHEMBL4240338

SMILES: COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)c(OCc3ccc(OC)cc3)c2)cc1

InChI Key: InChIKey=JGCSLARSZZNHJG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50462437   

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))	BDBM50462437 (CHEMBL4240338) Show SMILES COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)c(OCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C30H29NO6/c1-34-26-11-6-21(7-12-26)19-36-28-15-10-24(18-31-25-5-3-4-23(16-25)30(32)33)29(17-28)37-20-22-8-13-27(35-2)14-9-22/h3-17,31H,18-20H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50462437 (CHEMBL4240338) Show SMILES COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)c(OCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C30H29NO6/c1-34-26-11-6-21(7-12-26)19-36-28-15-10-24(18-31-25-5-3-4-23(16-25)30(32)33)29(17-28)37-20-22-8-13-27(35-2)14-9-22/h3-17,31H,18-20H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50462437 (CHEMBL4240338) Show SMILES COc1ccc(COc2ccc(CNc3cccc(c3)C(O)=O)c(OCc3ccc(OC)cc3)c2)cc1 Show InChI InChI=1S/C30H29NO6/c1-34-26-11-6-21(7-12-26)19-36-28-15-10-24(18-31-25-5-3-4-23(16-25)30(32)33)29(17-28)37-20-22-8-13-27(35-2)14-9-22/h3-17,31H,18-20H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
					More data for this Ligand-Target Pair