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BDBM50194954 2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)butanoic acid::CHEMBL376325

SMILES: CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O

InChI Key: InChIKey=LDGIYJVCIBYBFK-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50194954   
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))
BDBM50194954
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194954
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 65n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in a HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194954
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in a HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50194954
PNG
(2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
More data for this
Ligand-Target Pair