new BindingDB logo
myBDB logout

BDBM50200408 (S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-yl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL239351

SMILES: CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1

InChI Key: InChIKey=QFZLLDMULSULLN-NRFANRHFSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50200408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200408
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-y...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 24n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200408
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-y...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.61E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200408
PNG
((S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-y...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 678n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair