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BDBM50205092 2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzo[d][1,3]dioxol-5-ylmethyl)amino)acetic acid::CHEMBL247720

SMILES: Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1

InChI Key: InChIKey=COCLDEIMTMDHQO-UHFFFAOYSA-N

Data: 2 IC50  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 4 hits for monomerid = 50205092   
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


(Homo sapiens (Human))
BDBM50205092
PNG
(2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H28N2O6/c1-20-25(30-29(37-20)23-5-3-2-4-6-23)13-14-34-24-10-7-21(8-11-24)16-31(18-28(32)33)17-22-9-12-26-27(15-22)36-19-35-26/h2-12,15H,13-14,16-19H2,1H3,(H,32,33)
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Article
PubMed
n/an/a 3.29E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50205092
PNG
(2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H28N2O6/c1-20-25(30-29(37-20)23-5-3-2-4-6-23)13-14-34-24-10-7-21(8-11-24)16-31(18-28(32)33)17-22-9-12-26-27(15-22)36-19-35-26/h2-12,15H,13-14,16-19H2,1H3,(H,32,33)
PDB

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UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 128n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha receptor expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50205092
PNG
(2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H28N2O6/c1-20-25(30-29(37-20)23-5-3-2-4-6-23)13-14-34-24-10-7-21(8-11-24)16-31(18-28(32)33)17-22-9-12-26-27(15-22)36-19-35-26/h2-12,15H,13-14,16-19H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 307n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50205092
PNG
(2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H28N2O6/c1-20-25(30-29(37-20)23-5-3-2-4-6-23)13-14-34-24-10-7-21(8-11-24)16-31(18-28(32)33)17-22-9-12-26-27(15-22)36-19-35-26/h2-12,15H,13-14,16-19H2,1H3,(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair