BindingDB logo
myBDB logout

BDBM50200399 (S)-2-(5-(3-((2-(4-ethylphenyl)pyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL392474

SMILES: CCc1ccc(cc1)-c1nccc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1

InChI Key: InChIKey=BESRZLMEODTHCH-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 = 50200399   
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)
BDBM50200399
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)pyrimidin-4-yl)(met...)
Show SMILES CCc1ccc(cc1)-c1nccc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O3/c1-3-19-5-7-20(8-6-19)27-28-14-13-25(29-27)30(2)15-4-16-33-23-11-12-24-21(17-23)9-10-22(24)18-26(31)32/h5-8,11-14,17,22H,3-4,9-10,15-16,18H2,1-2H3,(H,31,32)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 800n/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))
BDBM50200399
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)pyrimidin-4-yl)(met...)
Show SMILES CCc1ccc(cc1)-c1nccc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O3/c1-3-19-5-7-20(8-6-19)27-28-14-13-25(29-27)30(2)15-4-16-33-23-11-12-24-21(17-23)9-10-22(24)18-26(31)32/h5-8,11-14,17,22H,3-4,9-10,15-16,18H2,1-2H3,(H,31,32)/t22-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/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))
BDBM50200399
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)pyrimidin-4-yl)(met...)
Show SMILES CCc1ccc(cc1)-c1nccc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C27H31N3O3/c1-3-19-5-7-20(8-6-19)27-28-14-13-25(29-27)30(2)15-4-16-33-23-11-12-24-21(17-23)9-10-22(24)18-26(31)32/h5-8,11-14,17,22H,3-4,9-10,15-16,18H2,1-2H3,(H,31,32)/t22-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 565n/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