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BDBM50176621 2-(5-(2-(2-(benzo[b]thiophen-2-yl)-5-methyloxazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)butanoic acid::CHEMBL200916

SMILES: CCC(C1CCc2cc(OCCc3nc(oc3C)-c3cc4ccccc4s3)ccc12)C(O)=O

InChI Key: InChIKey=OUFVUVNMAQYSQI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50176621   
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


(Homo sapiens (Human))
BDBM50176621
PNG
(2-(5-(2-(2-(benzo[b]thiophen-2-yl)-5-methyloxazol-...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3cc4ccccc4s3)ccc12)C(O)=O
Show InChI InChI=1S/C27H27NO4S/c1-3-20(27(29)30)22-10-8-17-14-19(9-11-21(17)22)31-13-12-23-16(2)32-26(28-23)25-15-18-6-4-5-7-24(18)33-25/h4-7,9,11,14-15,20,22H,3,8,10,12-13H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 287n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR alpha in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50176621
PNG
(2-(5-(2-(2-(benzo[b]thiophen-2-yl)-5-methyloxazol-...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3cc4ccccc4s3)ccc12)C(O)=O
Show InChI InChI=1S/C27H27NO4S/c1-3-20(27(29)30)22-10-8-17-14-19(9-11-21(17)22)31-13-12-23-16(2)32-26(28-23)25-15-18-6-4-5-7-24(18)33-25/h4-7,9,11,14-15,20,22H,3,8,10,12-13H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR gamma in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair