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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50418559   
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 gamma


(Homo sapiens (Human))
BDBM50418559
PNG
(CHEMBL1785030)
Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N=C(C)CC(=O)c1ccccc1 |r,w:21.23|
Show InChI InChI=1S/C27H27NO4/c1-20(17-26(29)23-11-7-4-8-12-23)28-25(27(30)31-2)18-21-13-15-24(16-14-21)32-19-22-9-5-3-6-10-22/h3-16,25H,17-19H2,1-2H3/t25-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
759n/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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50418559
PNG
(CHEMBL1785030)
Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N=C(C)CC(=O)c1ccccc1 |r,w:21.23|
Show InChI InChI=1S/C27H27NO4/c1-20(17-26(29)23-11-7-4-8-12-23)28-25(27(30)31-2)18-21-13-15-24(16-14-21)32-19-22-9-5-3-6-10-22/h3-16,25H,17-19H2,1-2H3/t25-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.63E+8n/an/an/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Eur J Med Chem 43: 73-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.004
BindingDB Entry DOI: 10.7270/Q2XG9SCP
More data for this
Ligand-Target Pair