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SMILES: CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl

InChI Key: InChIKey=PGDOKBIYYZCQED-UHFFFAOYSA-N

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 4 hits for monomerid = 50418136   
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))
BDBM50418136
PNG
(CHEMBL1760399)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H26Cl3NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418136
PNG
(CHEMBL1760399)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H26Cl3NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50418136
PNG
(CHEMBL1760399)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H26Cl3NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARalpha by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418136
PNG
(CHEMBL1760399)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H26Cl3NO5S/c1-4-5-15-30(21-8-6-7-20(16(21)2)18-9-11-19(27)12-10-18)36(33,34)23-14-13-22(24(28)25(23)29)35-17(3)26(31)32/h6-14,17H,4-5,15H2,1-3H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARdelta expressed in african green monkey CV1 cells transfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair