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BDBM50100443 2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenoxy}-propionic acid::CHEMBL66206

SMILES: Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1

InChI Key: InChIKey=DBLOTXLMFNXDEW-UHFFFAOYSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50100443   
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))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha)


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma)


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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n/an/an/an/a 2.06E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human PPAR gamma


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assay


Bioorg Med Chem Lett 22: 7075-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.092
BindingDB Entry DOI: 10.7270/Q2HM59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
PDB

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PC sid
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Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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Article
PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
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Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by cell based assay


Bioorg Med Chem Lett 22: 7075-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.092
BindingDB Entry DOI: 10.7270/Q2HM59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100443
PNG
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
PDB

UniProtKB/SwissProt
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 717n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human PPAR alpha


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair