SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4
BDBM50401993

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARgamma ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 22: 7662-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.111 BindingDB Entry DOI: 10.7270/Q2639QW8
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARalpha ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay				Bioorg Med Chem Lett 22: 7662-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.111 BindingDB Entry DOI: 10.7270/Q2639QW8
Universit£ degli Studi G. d'Annunzio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
University of Chieti "G. d.Annunzio" Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50401993 (CHEMBL2204696) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
University of Chieti "G. d.Annunzio" Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)