Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5 BDBM50214954

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 delta (Homo sapiens (Human))	BDBM50214954 ((Z)-2-(2-methyl-4-(6-phenyl-4-(quinolin-3-yl)hex-2...) Show SMILES Cc1cc(OC\C=C/C(C#Cc2ccccc2)c2cnc3ccccc3c2)ccc1OCC(O)=O |w:8.7| Show InChI InChI=1S/C30H25NO4/c1-22-18-27(15-16-29(22)35-21-30(32)33)34-17-7-11-24(14-13-23-8-3-2-4-9-23)26-19-25-10-5-6-12-28(25)31-20-26/h2-12,15-16,18-20,24H,17,21H2,1H3,(H,32,33)/b11-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
RE&D VUFB, s.r.o. Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta by transactivation assay				Bioorg Med Chem Lett 17: 4144-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.051 BindingDB Entry DOI: 10.7270/Q28S4PMW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50214954 ((Z)-2-(2-methyl-4-(6-phenyl-4-(quinolin-3-yl)hex-2...) Show SMILES Cc1cc(OC\C=C/C(C#Cc2ccccc2)c2cnc3ccccc3c2)ccc1OCC(O)=O |w:8.7| Show InChI InChI=1S/C30H25NO4/c1-22-18-27(15-16-29(22)35-21-30(32)33)34-17-7-11-24(14-13-23-8-3-2-4-9-23)26-19-25-10-5-6-12-28(25)31-20-26/h2-12,15-16,18-20,24H,17,21H2,1H3,(H,32,33)/b11-7-	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	6.60E+3	n/a	n/a	n/a	n/a
RE&D VUFB, s.r.o. Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma by transactivation assay				Bioorg Med Chem Lett 17: 4144-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.051 BindingDB Entry DOI: 10.7270/Q28S4PMW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50214954 ((Z)-2-(2-methyl-4-(6-phenyl-4-(quinolin-3-yl)hex-2...) Show SMILES Cc1cc(OC\C=C/C(C#Cc2ccccc2)c2cnc3ccccc3c2)ccc1OCC(O)=O |w:8.7| Show InChI InChI=1S/C30H25NO4/c1-22-18-27(15-16-29(22)35-21-30(32)33)34-17-7-11-24(14-13-23-8-3-2-4-9-23)26-19-25-10-5-6-12-28(25)31-20-26/h2-12,15-16,18-20,24H,17,21H2,1H3,(H,32,33)/b11-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
RE&D VUFB, s.r.o. Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by transactivation assay				Bioorg Med Chem Lett 17: 4144-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.051 BindingDB Entry DOI: 10.7270/Q28S4PMW
					More data for this Ligand-Target Pair