Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.4 BDBM50486805

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

Found 2 hits 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 gamma (Homo sapiens (Human))	BDBM50486805 (CHEMBL2237302) Show SMILES CC(C)O[C@H](Cc1ccc(OCc2noc(n2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C23H20F6N2O5/c1-12(2)35-18(21(32)33)7-13-3-5-17(6-4-13)34-11-19-30-20(36-31-19)14-8-15(22(24,25)26)10-16(9-14)23(27,28)29/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,32,33)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50486805 (CHEMBL2237302) Show SMILES CC(C)O[C@H](Cc1ccc(OCc2noc(n2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C23H20F6N2O5/c1-12(2)35-18(21(32)33)7-13-3-5-17(6-4-13)34-11-19-30-20(36-31-19)14-8-15(22(24,25)26)10-16(9-14)23(27,28)29/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,32,33)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
					More data for this Ligand-Target Pair