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BDBM28765 2-{3-chloro-4-[(4-{[2-(2,4-dichlorophenoxy)ethyl]carbamoyl}-5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl}acetic acid::trisubstituted isoxazole, 11a

SMILES: OC(=O)Cc1ccc(OCc2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1

InChI Key: InChIKey=JHDUFKJHBFYHOS-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 = 28765   
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))
BDBM28765
PNG
(2-{3-chloro-4-[(4-{[2-(2,4-dichlorophenoxy)ethyl]c...)
Show SMILES OC(=O)Cc1ccc(OCc2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C27H21Cl3N2O6/c28-18-7-9-22(20(30)14-18)36-11-10-31-27(35)25-21(32-38-26(25)17-4-2-1-3-5-17)15-37-23-8-6-16(12-19(23)29)13-24(33)34/h1-9,12,14H,10-11,13,15H2,(H,31,35)(H,33,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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


(Homo sapiens (Human))
BDBM28765
PNG
(2-{3-chloro-4-[(4-{[2-(2,4-dichlorophenoxy)ethyl]c...)
Show SMILES OC(=O)Cc1ccc(OCc2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C27H21Cl3N2O6/c28-18-7-9-22(20(30)14-18)36-11-10-31-27(35)25-21(32-38-26(25)17-4-2-1-3-5-17)15-37-23-8-6-16(12-19(23)29)13-24(33)34/h1-9,12,14H,10-11,13,15H2,(H,31,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM28765
PNG
(2-{3-chloro-4-[(4-{[2-(2,4-dichlorophenoxy)ethyl]c...)
Show SMILES OC(=O)Cc1ccc(OCc2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C27H21Cl3N2O6/c28-18-7-9-22(20(30)14-18)36-11-10-31-27(35)25-21(32-38-26(25)17-4-2-1-3-5-17)15-37-23-8-6-16(12-19(23)29)13-24(33)34/h1-9,12,14H,10-11,13,15H2,(H,31,35)(H,33,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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