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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50278027'   
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))
BDBM50278027
PNG
((S)-2-ethoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C27H27NO5/c1-3-31-25(27(29)30)17-20-13-14-24(22-12-8-7-11-21(20)22)32-16-15-23-18(2)33-26(28-23)19-9-5-4-6-10-19/h4-14,25H,3,15-17H2,1-2H3,(H,29,30)/t25-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50278027
PNG
((S)-2-ethoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C27H27NO5/c1-3-31-25(27(29)30)17-20-13-14-24(22-12-8-7-11-21(20)22)32-16-15-23-18(2)33-26(28-23)19-9-5-4-6-10-19/h4-14,25H,3,15-17H2,1-2H3,(H,29,30)/t25-/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
n/an/an/an/a 37n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in BHK21 cells assessed as SEAP activity by luciferase reporter transactivation assay


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair