BDBM50376412 CHEMBL254347

SMILES: OCc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1

InChI Key: InChIKey=YIRXLRFQQYZVHN-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50376412   

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))	BDBM50376412 (CHEMBL254347) Show SMILES OCc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O8/c31-18-25-24(29-27(38-25)20-4-2-1-3-5-20)14-15-36-22-10-6-19(7-11-22)16-30(17-26(33)34)28(35)37-23-12-8-21(32)9-13-23/h1-13,31-32H,14-18H2,(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity at PPAR alpha receptor				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50376412 (CHEMBL254347) Show SMILES OCc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O8/c31-18-25-24(29-27(38-25)20-4-2-1-3-5-20)14-15-36-22-10-6-19(7-11-22)16-30(17-26(33)34)28(35)37-23-12-8-21(32)9-13-23/h1-13,31-32H,14-18H2,(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at PPAR alpha in human HEK cells by transactivation assay				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50376412 (CHEMBL254347) Show SMILES OCc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O8/c31-18-25-24(29-27(38-25)20-4-2-1-3-5-20)14-15-36-22-10-6-19(7-11-22)16-30(17-26(33)34)28(35)37-23-12-8-21(32)9-13-23/h1-13,31-32H,14-18H2,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at PPAR gamma in human HEK cells by transactivation assay				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50376412 (CHEMBL254347) Show SMILES OCc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O8/c31-18-25-24(29-27(38-25)20-4-2-1-3-5-20)14-15-36-22-10-6-19(7-11-22)16-30(17-26(33)34)28(35)37-23-12-8-21(32)9-13-23/h1-13,31-32H,14-18H2,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity at PPAR gamma receptor				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair