BDBM50124389 2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-propionic acid::CHEMBL173159
SMILES: CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
InChI Key: InChIKey=NNRIYLOVZFGUOR-UHFFFAOYSA-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)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity for human peroxisome proliferator activated receptor alpha | J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity for human peroxisome proliferator activated receptor gamma | J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 317 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta) | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 860 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | 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 | 20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay | J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) | Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human)) | BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) | 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 | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay | J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 | |||||||||||
More data for this Ligand-Target Pair |