BindingDB PrimarySearch

BDBM50428827 CHEMBL2337126

SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O

InChI Key: InChIKey=UJSSSFNGQWZNEN-UHFFFAOYSA-N

Data: 3 Kd 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50428827
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 (Homo sapiens (Human))	BDBM50428827 (CHEMBL2337126) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50428827 (CHEMBL2337126) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase repor...				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50428827 (CHEMBL2337126) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50428827 (CHEMBL2337126) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair