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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor' and Ligand = 'BDBM50428859'   
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


(Homo sapiens (Human))
BDBM50428859
PNG
(CHEMBL2338476)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C22H14Cl3NO3S/c23-16-6-10-22(20(25)12-16)30(27,28)26-17-7-9-21(19(24)13-17)29-18-8-5-14-3-1-2-4-15(14)11-18/h1-13,26H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428859
PNG
(CHEMBL2338476)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C22H14Cl3NO3S/c23-16-6-10-22(20(25)12-16)30(27,28)26-17-7-9-21(19(24)13-17)29-18-8-5-14-3-1-2-4-15(14)11-18/h1-13,26H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Transactivation of GAL4 DBD-fused human PPARgamma-LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair