BDBM50157925 2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-butyric acid::CHEMBL178236

SMILES: CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O

InChI Key: InChIKey=XTHHGKZVXMNJNA-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50157925   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50157925 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor alpha				Bioorg Med Chem Lett 15: 357-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.068 BindingDB Entry DOI: 10.7270/Q27W6BNP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50157925 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor gamma				Bioorg Med Chem Lett 15: 357-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.068 BindingDB Entry DOI: 10.7270/Q27W6BNP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50157925 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor delta				Bioorg Med Chem Lett 15: 357-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.068 BindingDB Entry DOI: 10.7270/Q27W6BNP
					More data for this Ligand-Target Pair