Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.3 BDBM50423899

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 (Homo sapiens (Human))	BDBM50423899 (CHEMBL2312717) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H17F3O3/c23-22(24,25)19-9-5-4-8-18(19)16-10-12-17(13-11-16)28-20(21(26)27)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,26,27)/t20-/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	22	n/a	n/a	n/a	n/a
Universit� degli Studi di Bari&quo Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay				J Med Chem 56: 60-72 (2013) Article DOI: 10.1021/jm301018z BindingDB Entry DOI: 10.7270/Q25140HR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50423899 (CHEMBL2312717) Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H17F3O3/c23-22(24,25)19-9-5-4-8-18(19)16-10-12-17(13-11-16)28-20(21(26)27)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,26,27)/t20-/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	1.00E+3	n/a	n/a	n/a	n/a
Universit� degli Studi di Bari&quo Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay				J Med Chem 56: 60-72 (2013) Article DOI: 10.1021/jm301018z BindingDB Entry DOI: 10.7270/Q25140HR
					More data for this Ligand-Target Pair