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BDBM50418159 CHEMBL1760422

SMILES: CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C

InChI Key: InChIKey=DPVVRLPGCOQZLR-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50418159   
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))
BDBM50418159
PNG
(CHEMBL1760422)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H31Cl2NO5S/c1-6-7-15-31(25-10-8-9-22(19(25)4)21-11-12-23(29)24(30)16-21)37(34,35)27-14-13-26(17(2)18(27)3)36-20(5)28(32)33/h8-14,16,20H,6-7,15H2,1-5H3,(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 126n/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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50418159
PNG
(CHEMBL1760422)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H31Cl2NO5S/c1-6-7-15-31(25-10-8-9-22(19(25)4)21-11-12-23(29)24(30)16-21)37(34,35)27-14-13-26(17(2)18(27)3)36-20(5)28(32)33/h8-14,16,20H,6-7,15H2,1-5H3,(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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


(Homo sapiens (Human))
BDBM50418159
PNG
(CHEMBL1760422)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H31Cl2NO5S/c1-6-7-15-31(25-10-8-9-22(19(25)4)21-11-12-23(29)24(30)16-21)37(34,35)27-14-13-26(17(2)18(27)3)36-20(5)28(32)33/h8-14,16,20H,6-7,15H2,1-5H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01E+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 delta


(Homo sapiens (Human))
BDBM50418159
PNG
(CHEMBL1760422)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H31Cl2NO5S/c1-6-7-15-31(25-10-8-9-22(19(25)4)21-11-12-23(29)24(30)16-21)37(34,35)27-14-13-26(17(2)18(27)3)36-20(5)28(32)33/h8-14,16,20H,6-7,15H2,1-5H3,(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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