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BDBM50188260 2-(4-(4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)-5-ethylisoxazol-3-yl)-3-chlorophenyl)acetic acid::CHEMBL380232

SMILES: CCc1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccc(CC(O)=O)cc1Cl

InChI Key: InChIKey=AYBCPAUHDJRCLO-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 = 50188260   
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))
BDBM50188260
PNG
(2-(4-(4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)-...)
Show SMILES CCc1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C22H19Cl3N2O5/c1-2-17-20(22(30)26-7-8-31-18-6-4-13(23)11-16(18)25)21(27-32-17)14-5-3-12(9-15(14)24)10-19(28)29/h3-6,9,11H,2,7-8,10H2,1H3,(H,26,30)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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


(Homo sapiens (Human))
BDBM50188260
PNG
(2-(4-(4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)-...)
Show SMILES CCc1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C22H19Cl3N2O5/c1-2-17-20(22(30)26-7-8-31-18-6-4-13(23)11-16(18)25)21(27-32-17)14-5-3-12(9-15(14)24)10-19(28)29/h3-6,9,11H,2,7-8,10H2,1H3,(H,26,30)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


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 delta


(Homo sapiens (Human))
BDBM50188260
PNG
(2-(4-(4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)-...)
Show SMILES CCc1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C22H19Cl3N2O5/c1-2-17-20(22(30)26-7-8-31-18-6-4-13(23)11-16(18)25)21(27-32-17)14-5-3-12(9-15(14)24)10-19(28)29/h3-6,9,11H,2,7-8,10H2,1H3,(H,26,30)(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 110n/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