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BDBM50200418 (S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL240459

SMILES: CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1

InChI Key: InChIKey=VWFWVFILCXWTPJ-QHCPKHFHSA-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 = 50200418   
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)
BDBM50200418
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 600n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200418
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 920n/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))
BDBM50200418
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/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