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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.7
BDBM50188258

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50188258
PNG
(2-(3-chloro-4-(5-cyclopropyl-4-((2-(2,4-dichloroph...)
Show SMILES OC(=O)Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H19Cl3N2O5/c24-14-4-6-18(17(26)11-14)32-8-7-27-23(31)20-21(28-33-22(20)13-2-3-13)15-5-1-12(9-16(15)25)10-19(29)30/h1,4-6,9,11,13H,2-3,7-8,10H2,(H,27,31)(H,29,30)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 30n/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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188258
PNG
(2-(3-chloro-4-(5-cyclopropyl-4-((2-(2,4-dichloroph...)
Show SMILES OC(=O)Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H19Cl3N2O5/c24-14-4-6-18(17(26)11-14)32-8-7-27-23(31)20-21(28-33-22(20)13-2-3-13)15-5-1-12(9-16(15)25)10-19(29)30/h1,4-6,9,11,13H,2-3,7-8,10H2,(H,27,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.67E+3n/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 gamma


(Homo sapiens (Human))
BDBM50188258
PNG
(2-(3-chloro-4-(5-cyclopropyl-4-((2-(2,4-dichloroph...)
Show SMILES OC(=O)Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C23H19Cl3N2O5/c24-14-4-6-18(17(26)11-14)32-8-7-27-23(31)20-21(28-33-22(20)13-2-3-13)15-5-1-12(9-16(15)25)10-19(29)30/h1,4-6,9,11,13H,2-3,7-8,10H2,(H,27,31)(H,29,30)
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 3.23E+3n/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