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BDBM50200416 (S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL393777

SMILES: CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1

InChI Key: InChIKey=GLJDOZSNOHZJFG-QFIPXVFZSA-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 = 50200416   
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 gamma


(Mus musculus)
BDBM50200416
PNG
((S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-10-8-20(9-11-23)27-29-18-19(2)28(30-27)31(3)14-5-15-35-24-12-13-25-21(16-24)6-7-22(25)17-26(32)33/h8-13,16,18,22H,4-7,14-15,17H2,1-3H3,(H,32,33)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 161n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200416
PNG
((S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-10-8-20(9-11-23)27-29-18-19(2)28(30-27)31(3)14-5-15-35-24-12-13-25-21(16-24)6-7-22(25)17-26(32)33/h8-13,16,18,22H,4-7,14-15,17H2,1-3H3,(H,32,33)/t22-/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 58n/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))
BDBM50200416
PNG
((S)-2-(5-(3-((2-(4-ethoxyphenyl)-5-methylpyrimidin...)
Show SMILES CCOc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O4/c1-4-34-23-10-8-20(9-11-23)27-29-18-19(2)28(30-27)31(3)14-5-15-35-24-12-13-25-21(16-24)6-7-22(25)17-26(32)33/h8-13,16,18,22H,4-7,14-15,17H2,1-3H3,(H,32,33)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.09E+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