Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 573.6 BDBM50540554

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50540554 (CHEMBL4636810) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1 Show InChI InChI=1S/C31H31N3O6S/c1-31(2,30(35)34-41(36,37)29-19-17-26(38-3)18-20-29)40-28-13-9-23(10-14-28)21-22-39-27-15-11-25(12-16-27)33-32-24-7-5-4-6-8-24/h4-20H,21-22H2,1-3H3,(H,34,35)/b33-32+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactiva...				ACS Med Chem Lett 11: 624-632 (2020) Article DOI: 10.1021/acsmedchemlett.9b00666 BindingDB Entry DOI: 10.7270/Q2765JW1
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