BDBM50244556 (2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy]propanoicAcid::(S)-2-(3-((3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid::CHEMBL452051
SMILES: C[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
InChI Key: InChIKey=DHUATBAZHILHIC-INIZCTEOSA-N
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 (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | 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 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human PPARgamma receptor expressed in african green monkey COS cells after 48 hrs by GAL4 transactivation assay | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 489 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human PPARalpha receptor expressed in african green monkey COS1 cells cotransfected with fused yeast Gal4-DBD by transactivation ... | J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | 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 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human PPARgamma receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation... | J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (Mus musculus) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation... | J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21 | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | 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 Inhibition of human PPARalpha receptor by scintillation proximity assay | J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human PPARgamma receptor by scintillation proximity assay | J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50244556 ((2S)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5 | |||||||||||
More data for this Ligand-Target Pair |