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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM28800'   
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))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/a>1.50E+4n/a 4.10E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Flu...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at full length human PPARgamma expressed in HepG2 cells cotransfected with pBL-tk-luciferase by luciferase reporter gene assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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PubMed
n/an/an/an/a 4.10E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma LBD (176-477) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/an/an/a 4.02E+3n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 2933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.019
BindingDB Entry DOI: 10.7270/Q2K35TS2
More data for this
Ligand-Target Pair