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BDBM50200413 2-((S)-5-(3-((2-(3-chlorophenyl)-5-methylpyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL238946

SMILES: CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(Cl)c1

InChI Key: InChIKey=TUWNDYSPVJIUPH-IBGZPJMESA-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 = 50200413   
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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200413
PNG
(2-((S)-5-(3-((2-(3-chlorophenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O3/c1-17-16-28-25(20-5-3-6-21(27)13-20)29-26(17)30(2)11-4-12-33-22-9-10-23-18(14-22)7-8-19(23)15-24(31)32/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15H2,1-2H3,(H,31,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.37E+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 delta


(Homo sapiens (Human))
BDBM50200413
PNG
(2-((S)-5-(3-((2-(3-chlorophenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O3/c1-17-16-28-25(20-5-3-6-21(27)13-20)29-26(17)30(2)11-4-12-33-22-9-10-23-18(14-22)7-8-19(23)15-24(31)32/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15H2,1-2H3,(H,31,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 23n/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 gamma


(Mus musculus)
BDBM50200413
PNG
(2-((S)-5-(3-((2-(3-chlorophenyl)-5-methylpyrimidin...)
Show SMILES CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O3/c1-17-16-28-25(20-5-3-6-21(27)13-20)29-26(17)30(2)11-4-12-33-22-9-10-23-18(14-22)7-8-19(23)15-24(31)32/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15H2,1-2H3,(H,31,32)/t19-/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 582n/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