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BDBM50106967 (S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-morpholin-4-yl-propionic acid::CHEMBL104246

SMILES: Cc1oc(nc1CCOc1ccc(C[C@H](N2CCOCC2)C(O)=O)cc1)-c1ccccc1

InChI Key: InChIKey=VUGWDUAFDNEHMZ-QHCPKHFHSA-N

Data: 1 KI  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 3 hits for monomerid = 50106967   
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))
BDBM50106967
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](N2CCOCC2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c1-18-22(26-24(32-18)20-5-3-2-4-6-20)11-14-31-21-9-7-19(8-10-21)17-23(25(28)29)27-12-15-30-16-13-27/h2-10,23H,11-17H2,1H3,(H,28,29)/t23-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50106967
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](N2CCOCC2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c1-18-22(26-24(32-18)20-5-3-2-4-6-20)11-14-31-21-9-7-19(8-10-21)17-23(25(28)29)27-12-15-30-16-13-27/h2-10,23H,11-17H2,1H3,(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
PubMed
n/an/an/an/a 24n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50106967
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](N2CCOCC2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c1-18-22(26-24(32-18)20-5-3-2-4-6-20)11-14-31-21-9-7-19(8-10-21)17-23(25(28)29)27-12-15-30-16-13-27/h2-10,23H,11-17H2,1H3,(H,28,29)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 6.90E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by funct...


Bioorg Med Chem Lett 11: 3111-3 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair