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BDBM50106965 (S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(pyrimidin-2-ylamino)-propionic acid::CHEMBL104494

SMILES: Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(O)=O)cc1)-c1ccccc1

InChI Key: InChIKey=WHSXOSCUKMNJKZ-QFIPXVFZSA-N

Data: 2 KI  1 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 = 50106965   
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))
BDBM50106965
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O4/c1-17-21(28-23(33-17)19-6-3-2-4-7-19)12-15-32-20-10-8-18(9-11-20)16-22(24(30)31)29-25-26-13-5-14-27-25/h2-11,13-14,22H,12,15-16H2,1H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/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)


Article DOI: 10.1016/s0960-894x(01)00649-7
BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50106965
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O4/c1-17-21(28-23(33-17)19-6-3-2-4-7-19)12-15-32-20-10-8-18(9-11-20)16-22(24(30)31)29-25-26-13-5-14-27-25/h2-11,13-14,22H,12,15-16H2,1H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00649-7
BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50106965
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O4/c1-17-21(28-23(33-17)19-6-3-2-4-7-19)12-15-32-20-10-8-18(9-11-20)16-22(24(30)31)29-25-26-13-5-14-27-25/h2-11,13-14,22H,12,15-16H2,1H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 590n/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)


Article DOI: 10.1016/s0960-894x(01)00649-7
BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair