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BDBM50200404 (S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL430182

SMILES: CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1

InChI Key: InChIKey=FNNZTVNFLDAFQT-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 = 50200404   
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))
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 425n/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))
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/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)
BDBM50200404
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-fluoropyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(F)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H30FN3O3/c1-3-18-5-7-19(8-6-18)26-29-17-24(28)27(30-26)31(2)13-4-14-34-22-11-12-23-20(15-22)9-10-21(23)16-25(32)33/h5-8,11-12,15,17,21H,3-4,9-10,13-14,16H2,1-2H3,(H,32,33)/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 360n/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