BDBM50293847 (2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy}isobutyric Acid::CHEMBL562864
SMILES: CC(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=GDSCCLCHSVBGDJ-HHHXNRCGSA-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 alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 2 | 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)) | BDBM50293847 ((2R)-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 | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 491 | 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 alpha (Mus musculus) | BDBM50293847 ((2R)-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 | 40 | 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)) | BDBM50293847 ((2R)-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 | 5 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay | J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 9 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay | J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 6 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay | J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 7 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay | J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50293847 ((2R)-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 | 2 | 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 |