Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 256.7 BDBM50175261Purchase

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 (Rattus norvegicus)	BDBM50175261 (1-(5-chloro-2-methylphenyl)-3-isobutylthiourea | C...) Show SMILES CC(C)CNC(=S)Nc1cc(Cl)ccc1C Show InChI InChI=1S/C12H17ClN2S/c1-8(2)7-14-12(16)15-11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Activity against PPAR-alpha				Bioorg Med Chem Lett 16: 113-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.034 BindingDB Entry DOI: 10.7270/Q29023BW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50175261 (1-(5-chloro-2-methylphenyl)-3-isobutylthiourea | C...) Show SMILES CC(C)CNC(=S)Nc1cc(Cl)ccc1C Show InChI InChI=1S/C12H17ClN2S/c1-8(2)7-14-12(16)15-11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Activity against PPAR-delta				Bioorg Med Chem Lett 16: 113-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.034 BindingDB Entry DOI: 10.7270/Q29023BW
					More data for this Ligand-Target Pair