Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.4 BDBM50275536

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))	BDBM50275536 (CHEMBL485942 | cis-2-methyl-5-(5-(4-(methylsulfony...) Show SMILES C[C@]1(OC[C@H](CCCCCc2ccc(OS(C)(=O)=O)cc2)CO1)C(O)=O |r,wU:4.4,1.24,wD:1.0,(9.11,1.64,;7.58,1.63,;7.58,3.17,;6.25,3.94,;4.93,3.18,;3.59,3.95,;2.26,3.17,;.92,3.94,;-.41,3.17,;-1.74,3.94,;-3.07,3.17,;-3.07,1.63,;-4.41,.86,;-5.75,1.63,;-7.08,.86,;-7.08,-.67,;-7.08,-2.21,;-5.54,-.67,;-8.62,-.67,;-5.74,3.17,;-4.42,3.94,;4.92,1.63,;6.24,.87,;7.57,.1,;8.89,-.68,;6.23,-.66,)| Show InChI InChI=1S/C18H26O7S/c1-18(17(19)20)23-12-15(13-24-18)7-5-3-4-6-14-8-10-16(11-9-14)25-26(2,21)22/h8-11,15H,3-7,12-13H2,1-2H3,(H,19,20)/t15-,18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of bet...				Bioorg Med Chem Lett 18: 5586-90 (2008) Article DOI: 10.1016/j.bmcl.2008.08.112 BindingDB Entry DOI: 10.7270/Q2GH9HS2
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