Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.9 BDBM50360753

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 alpha (Homo sapiens (Human))	BDBM50360753 (CHEMBL1934312) Show SMILES Cc1nc(sc1C(=O)NCC1CCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(26-14)16-5-7-18(24)8-6-16)21(28)25-12-15-9-10-27(13-15)19-4-2-3-17(11-19)23(29)30/h2-8,11,15H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Transactivation of human PPARalpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 22: 334-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.002 BindingDB Entry DOI: 10.7270/Q2G73F54
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50360753 (CHEMBL1934312) Show SMILES Cc1nc(sc1C(=O)NCC1CCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(26-14)16-5-7-18(24)8-6-16)21(28)25-12-15-9-10-27(13-15)19-4-2-3-17(11-19)23(29)30/h2-8,11,15H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Transactivation of human PPARgamma expressed in CHO-K1 cells				Bioorg Med Chem Lett 22: 334-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.002 BindingDB Entry DOI: 10.7270/Q2G73F54
					More data for this Ligand-Target Pair