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BDBM50188025 3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl)methyl)-1H-indol-5-yl)-2-ethoxypropanoic acid::CHEMBL211839

SMILES: CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O

InChI Key: InChIKey=PMZZWDLQGMUYFU-UHFFFAOYSA-N

Data: 2 IC50  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 5 hits for monomerid = 50188025   
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))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 253n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Activity at PPARgamma by luciferase reporter gene transactivation assay relative to edaglitazone


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Activity at PPARalpha by luciferase reporter gene transactivation assay relative to farglitazar


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Activity at PPARdelta by luciferase reporter gene transactivation assay relative to GW 501516


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair