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BDBM50214899 (R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy)propyl)amino)methyl)phenoxy)butanoic acid::CHEMBL247951

SMILES: CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O

InChI Key: InChIKey=ZHKNLJLMDFQVHJ-RUZDIDTESA-N

Data: 6 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 6 hits for monomerid = 50214899   
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))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARdelta (unknown origin)


Bioorg Med Chem Lett 25: 270-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1.58E+3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin)


Bioorg Med Chem Lett 25: 270-5 (2014)

More data for this
Ligand-Target Pair