Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.4 BDBM50179231

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM50179231 (CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...) Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay				J Med Chem 48: 8194-208 (2005) Article DOI: 10.1021/jm0506930 BindingDB Entry DOI: 10.7270/Q2R78DS5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50179231 (CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...) Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Functional activity at human PPAR delta in Huh7 cells by transactivation assay				J Med Chem 48: 8194-208 (2005) Article DOI: 10.1021/jm0506930 BindingDB Entry DOI: 10.7270/Q2R78DS5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50179231 (CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...) Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	898	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Functional activity at human PPAR gamma in Huh7 cells by transactivation assay				J Med Chem 48: 8194-208 (2005) Article DOI: 10.1021/jm0506930 BindingDB Entry DOI: 10.7270/Q2R78DS5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50179231 (CHEMBL198929 | {5-[3-(7-propyl-3-trifluoromethylbe...) Show SMILES CCCc1c(OCCCOc2ccc3n(Cc4nnn[nH]4)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N6O3/c1-2-4-17-20(8-6-18-22(17)36-30-23(18)24(25,26)27)35-12-3-11-34-16-5-7-19-15(13-16)9-10-33(19)14-21-28-31-32-29-21/h5-10,13H,2-4,11-12,14H2,1H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	474	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Functional activity at human PPAR alpha in Huh7 cells by transactivation assay				J Med Chem 48: 8194-208 (2005) Article DOI: 10.1021/jm0506930 BindingDB Entry DOI: 10.7270/Q2R78DS5
					More data for this Ligand-Target Pair