Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.6 BDBM50213178

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))	BDBM50213178 ((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...) Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1	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	1.06E+3	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs				Bioorg Med Chem Lett 17: 3595-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.057 BindingDB Entry DOI: 10.7270/Q2BV7GB8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50213178 ((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...) Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs				Bioorg Med Chem Lett 17: 3595-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.057 BindingDB Entry DOI: 10.7270/Q2BV7GB8
					More data for this Ligand-Target Pair