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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor' and Ligand = 'BDBM50002862'   
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))
BDBM50002862
PNG
(CHEMBL396220)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2cccc(CO)c2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C44H42N4O6/c1-30-39(48-44(54-30)34-14-6-3-7-15-34)23-24-53-37-21-19-31(20-22-37)26-36(27-45-41(50)28-46-43(52)35-16-10-11-32(25-35)29-49)47-40-18-9-8-17-38(40)42(51)33-12-4-2-5-13-33/h2-22,25,36,47,49H,23-24,26-29H2,1H3,(H,45,50)(H,46,52)/t36-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair