BindingDB PrimarySearch

BDBM50109551 (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID::(S)-2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid::2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid::2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid(-) DRF 2725::CHEMBL24038::Ragaglitazar

SMILES: CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O

InChI Key: InChIKey=WMUIIGVAWPWQAW-DEOSSOPVSA-N

Data: 2 KI 2 IC50 18 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50109551
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))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	90	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	980	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	n/a	n/a	575	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...				Citation and Details Article DOI: 10.1007/s00044-012-0003-4 BindingDB Entry DOI: 10.7270/Q280544F
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...				Citation and Details Article DOI: 10.1007/s00044-012-0003-4 BindingDB Entry DOI: 10.7270/Q280544F
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR alpha				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro transactivation using receptor transactivation assay against hPPAR gamma				J Med Chem 45: 789-804 (2002) BindingDB Entry DOI: 10.7270/Q2445KSG
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro activation of human peroxisome proliferator activated receptor alpha				Bioorg Med Chem Lett 13: 257-60 (2002) BindingDB Entry DOI: 10.7270/Q2FF3RQS
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 257-60 (2002) BindingDB Entry DOI: 10.7270/Q2FF3RQS
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand				J Med Chem 46: 1306-17 (2003) Article DOI: 10.1021/jm021027r BindingDB Entry DOI: 10.7270/Q2P55MWJ
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma				J Med Chem 46: 1306-17 (2003) Article DOI: 10.1021/jm021027r BindingDB Entry DOI: 10.7270/Q2P55MWJ
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha				J Med Chem 46: 1306-17 (2003) Article DOI: 10.1021/jm021027r BindingDB Entry DOI: 10.7270/Q2P55MWJ
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand				J Med Chem 46: 1306-17 (2003) Article DOI: 10.1021/jm021027r BindingDB Entry DOI: 10.7270/Q2P55MWJ
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	570	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by cell based assay				Bioorg Med Chem Lett 22: 7075-9 (2012) Article DOI: 10.1016/j.bmcl.2012.09.092 BindingDB Entry DOI: 10.7270/Q2HM59M5
Daiichi Sankyo Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assay				Bioorg Med Chem Lett 22: 7075-9 (2012) Article DOI: 10.1016/j.bmcl.2012.09.092 BindingDB Entry DOI: 10.7270/Q2HM59M5
Daiichi Sankyo Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				Bioorg Med Chem Lett 27: 3131-3134 (2017) Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.				Bioorg Med Chem Lett 27: 3131-3134 (2017) Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	n/a	n/a	575	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay				Citation and Details Article DOI: 10.1007/s00044-011-9818-7 BindingDB Entry DOI: 10.7270/Q2R49TNP
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	n/a	n/a	575	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...				Citation and Details Article DOI: 10.1007/s00044-012-0003-4 BindingDB Entry DOI: 10.7270/Q280544F
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50109551 ((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...				Citation and Details Article DOI: 10.1007/s00044-012-0003-4 BindingDB Entry DOI: 10.7270/Q280544F
TBA					More data for this Ligand-Target Pair