new BindingDB logo
myBDB logout

BDBM50200417 2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-yloxy)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL240868

SMILES: CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1

InChI Key: InChIKey=NDSVGELSLGUYIY-KRWDZBQOSA-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 = 50200417   
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 delta


(Homo sapiens (Human))
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/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)
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/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 264n/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))
BDBM50200417
PNG
(2-((S)-5-(3-(5-(4-ethylthiazol-2-yl)pyridin-2-ylox...)
Show SMILES CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C24H26N2O4S/c1-2-19-15-31-24(26-19)18-6-9-22(25-14-18)30-11-3-10-29-20-7-8-21-16(12-20)4-5-17(21)13-23(27)28/h6-9,12,14-15,17H,2-5,10-11,13H2,1H3,(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 421n/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