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BDBM50188255 2-(3-chloro-4-(5-methyl-4-((2-(2-nitrophenoxy)ethyl)carbamoyl)isoxazol-3-yl)phenyl)acetic acid::CHEMBL378881

SMILES: Cc1onc(c1C(=O)NCCOc1ccccc1[N+]([O-])=O)-c1ccc(CC(O)=O)cc1Cl

InChI Key: InChIKey=ITUIKSCIIWOHND-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50188255   
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))
BDBM50188255
PNG
(2-(3-chloro-4-(5-methyl-4-((2-(2-nitrophenoxy)ethy...)
Show SMILES Cc1onc(c1C(=O)NCCOc1ccccc1[N+]([O-])=O)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C21H18ClN3O7/c1-12-19(20(24-32-12)14-7-6-13(10-15(14)22)11-18(26)27)21(28)23-8-9-31-17-5-3-2-4-16(17)25(29)30/h2-7,10H,8-9,11H2,1H3,(H,23,28)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma by transactivation assay


Bioorg Med Chem Lett 16: 4376-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.055
BindingDB Entry DOI: 10.7270/Q2V987PC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50188255
PNG
(2-(3-chloro-4-(5-methyl-4-((2-(2-nitrophenoxy)ethy...)
Show SMILES Cc1onc(c1C(=O)NCCOc1ccccc1[N+]([O-])=O)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C21H18ClN3O7/c1-12-19(20(24-32-12)14-7-6-13(10-15(14)22)11-18(26)27)21(28)23-8-9-31-17-5-3-2-4-16(17)25(29)30/h2-7,10H,8-9,11H2,1H3,(H,23,28)(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha by transactivation assay


Bioorg Med Chem Lett 16: 4376-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.055
BindingDB Entry DOI: 10.7270/Q2V987PC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188255
PNG
(2-(3-chloro-4-(5-methyl-4-((2-(2-nitrophenoxy)ethy...)
Show SMILES Cc1onc(c1C(=O)NCCOc1ccccc1[N+]([O-])=O)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C21H18ClN3O7/c1-12-19(20(24-32-12)14-7-6-13(10-15(14)22)11-18(26)27)21(28)23-8-9-31-17-5-3-2-4-16(17)25(29)30/h2-7,10H,8-9,11H2,1H3,(H,23,28)(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta by transactivation assay


Bioorg Med Chem Lett 16: 4376-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.055
BindingDB Entry DOI: 10.7270/Q2V987PC
More data for this
Ligand-Target Pair