Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.7 BDBM50171899

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))	BDBM50171899 ((S)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...) Show SMILES CCC[C@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/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	8.90E+3	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARgamma expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50171899 ((S)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...) Show SMILES CCC[C@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/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	3.90E+3	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARalpha expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair