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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor' and Ligand = 'BDBM50049243'   
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))
BDBM50049243
PNG
(5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...)
Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)
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Article
PubMed
3.09E+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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049243
PNG
(5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...)
Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)
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PubMed
n/an/an/an/a 1.49E+4n/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in mouse NIH/3T3 cells assessed as receptor activation after 16 hrs by luciferase based reporter gene a...


J Nat Prod 65: 616-7 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9BH1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049243
PNG
(5-[4-(1-Methyl-cyclohexylmethoxy)-benzyl]-thiazoli...)
Show SMILES CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1
Show InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,20H,2-4,9-12H2,1H3,(H,19,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.29E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as...


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