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BDBM50277931 (S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)-2-methoxypropanoic acid::CHEMBL521007

SMILES: CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O

InChI Key: InChIKey=WAEQTAKZLFYNLE-QHCPKHFHSA-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 = 50277931   
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 delta


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 678n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta (unknown origin) by luciferase reporter transactivation assay


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
PDB
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KEGG

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PC sid
UniChem
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n/an/an/an/a 23n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in BHK21 cells assessed as SEAP activity by luciferase reporter transactivation assay


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 61n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by luciferase reporter transactivation assay


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
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/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair