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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 = 'BDBM50000018'   
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))
BDBM50000018
PNG
(CHEMBL146243)
Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)\N=C(/C)C1=C(O)c2ccccc2CC1 |c:25|
Show InChI InChI=1S/C29H29NO4/c1-20(25-17-14-23-10-6-7-11-26(23)28(25)31)30-27(29(32)33-2)18-21-12-15-24(16-13-21)34-19-22-8-4-3-5-9-22/h3-13,15-16,27,31H,14,17-19H2,1-2H3/b30-20+/t27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<3.16E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair