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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.7
BDBM50234374

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

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50234374
PNG
((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC
Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50234374
PNG
((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC
Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 29n/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50234374
PNG
((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC
Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair