Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.9 BDBM50360735

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

Found 3 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))	BDBM50360735 (CHEMBL1934471) Show SMILES Cc1nc(sc1COC1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O3S/c1-15-21(30-22(25-15)16-7-9-18(24)10-8-16)14-29-20-6-3-11-26(13-20)19-5-2-4-17(12-19)23(27)28/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	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 delta (Homo sapiens (Human))	BDBM50360735 (CHEMBL1934471) Show SMILES Cc1nc(sc1COC1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O3S/c1-15-21(30-22(25-15)16-7-9-18(24)10-8-16)14-29-20-6-3-11-26(13-20)19-5-2-4-17(12-19)23(27)28/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>6.30E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Transactivation of human PPARdelta 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))	BDBM50360735 (CHEMBL1934471) Show SMILES Cc1nc(sc1COC1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O3S/c1-15-21(30-22(25-15)16-7-9-18(24)10-8-16)14-29-20-6-3-11-26(13-20)19-5-2-4-17(12-19)23(27)28/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>9.70E+3	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