BDBM50157921 2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-pentanoic acid::CHEMBL445921

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

InChI Key: InChIKey=UNNWWBCMUJHNAH-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 = 50157921   

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))	BDBM50157921 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+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 delta (Homo sapiens (Human))	BDBM50157921 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50157921 (2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES CCCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C30H28F3NO6/c1-4-6-27(29(36)37)39-22-8-5-7-19(15-22)16-24-18(2)34(28(35)20-9-11-21(38-3)12-10-20)26-14-13-23(17-25(24)26)40-30(31,32)33/h5,7-15,17,27H,4,6,16H2,1-3H3,(H,36,37)	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	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 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