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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50157056'   
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))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 34.0n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by cell based assay


Bioorg Med Chem Lett 22: 7075-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.092
BindingDB Entry DOI: 10.7270/Q2HM59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50157056
PNG
((S)-2-Methoxy-3-{4-[3-(4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
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Article
PubMed
n/an/an/an/a 361n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Mean effective concentration against human peroxisome proliferator-activated receptor gamma


Bioorg Med Chem Lett 15: 51-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.042
BindingDB Entry DOI: 10.7270/Q24B30T6
More data for this
Ligand-Target Pair