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BDBM28769 2-[3-(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-5-phenyl-1,2-oxazol-3-yl)phenyl]acetic acid::trisubstituted isoxazole, 17d

SMILES: OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1

InChI Key: InChIKey=HINPKGVWVQYESB-UHFFFAOYSA-N

Data: 3 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 28769   
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 delta


(Homo sapiens (Human))
BDBM28769
PNG
(2-[3-(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-...)
Show SMILES OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C26H20Cl2N2O5/c27-19-9-10-21(20(28)15-19)34-12-11-29-26(33)23-24(18-8-4-5-16(13-18)14-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-10,13,15H,11-12,14H2,(H,29,33)(H,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 70n/an/an/an/a



GNF



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


Bioorg Med Chem Lett 16: 5488-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.052
BindingDB Entry DOI: 10.7270/Q23X84Z3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28769
PNG
(2-[3-(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-...)
Show SMILES OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C26H20Cl2N2O5/c27-19-9-10-21(20(28)15-19)34-12-11-29-26(33)23-24(18-8-4-5-16(13-18)14-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-10,13,15H,11-12,14H2,(H,29,33)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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



GNF



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


Bioorg Med Chem Lett 16: 5488-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.052
BindingDB Entry DOI: 10.7270/Q23X84Z3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM28769
PNG
(2-[3-(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-...)
Show SMILES OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C26H20Cl2N2O5/c27-19-9-10-21(20(28)15-19)34-12-11-29-26(33)23-24(18-8-4-5-16(13-18)14-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-10,13,15H,11-12,14H2,(H,29,33)(H,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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



GNF



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


Bioorg Med Chem Lett 16: 5488-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.052
BindingDB Entry DOI: 10.7270/Q23X84Z3
More data for this
Ligand-Target Pair