BindingDB PrimarySearch

BDBM50214207 (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid::(S)-2-(4-butoxy-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid::CHEMBL375471

SMILES: CCCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F

InChI Key: InChIKey=AJSFKATVCYWKJN-INIZCTEOSA-N

Data: 8 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50214207
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Effect on PPARalpha transactivation activity in HEK293 cells				Bioorg Med Chem 15: 5177-90 (2007) Article DOI: 10.1016/j.bmc.2007.05.023 BindingDB Entry DOI: 10.7270/Q2QZ29P7
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.910	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Effect on PPARdelta transactivation activity in HEK293 cells				Bioorg Med Chem 15: 5177-90 (2007) Article DOI: 10.1016/j.bmc.2007.05.023 BindingDB Entry DOI: 10.7270/Q2QZ29P7
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Effect on PPARgamma transactivation activity in HEK293 cells				Bioorg Med Chem 15: 5177-90 (2007) Article DOI: 10.1016/j.bmc.2007.05.023 BindingDB Entry DOI: 10.7270/Q2QZ29P7
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.720	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Transactivation of Gal4-fused human PPARdelta expressed in HEK293 cells after 16 to 20 hrs by luciferase reporter gene assay				J Med Chem 54: 331-41 (2011) Article DOI: 10.1021/jm101233f BindingDB Entry DOI: 10.7270/Q2TM7C3T
Okayama University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at PPARalpha receptor expressed in HEK293 cells cotransfected with GAL4 by transactivation assay				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at PPARgamma receptor expressed in HEK293 cells cotransfected with GAL4 by transactivation assay				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Transactivation of Gal4-fused human PPARalpha expressed in HEK293 cells after 16 to 20 hrs by luciferase reporter gene assay				J Med Chem 54: 331-41 (2011) Article DOI: 10.1021/jm101233f BindingDB Entry DOI: 10.7270/Q2TM7C3T
Okayama University Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50214207 ((2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.720	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at PPARdelta receptor expressed in HEK293 cells cotransfected with GAL4 by transactivation assay				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)