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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50011828   
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/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111008
PNG
(5-{3-[4-(5-Methyl-2-phenyl-thiazol-4-ylmethoxy)-ph...)
Show SMILES Cc1sc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27)
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n/an/an/an/a 813n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 490n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha; values in the parentheses indicates 95% confidence interval


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111006
PNG
(5-{3-[4-(2-Furan-2-yl-5-methyl-oxazol-4-ylmethoxy)...)
Show SMILES COc1cc(CCCc2oc(=O)[nH]c2O)ccc1OCc1nc(oc1C)-c1ccco1
Show InChI InChI=1S/C22H22N2O7/c1-13-15(23-21(30-13)18-7-4-10-28-18)12-29-16-9-8-14(11-19(16)27-2)5-3-6-17-20(25)24-22(26)31-17/h4,7-11,25H,3,5-6,12H2,1-2H3,(H,24,26)
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n/an/an/an/a 8.87n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111010
PNG
(5-{3-[4-(5-Methyl-2-naphthalen-2-yl-oxazol-4-ylmet...)
Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H24N2O5/c1-17-23(28-26(33-17)21-12-11-19-6-2-3-7-20(19)15-21)16-32-22-13-9-18(10-14-22)5-4-8-24-25(30)29-27(31)34-24/h2-3,6-7,9-15,30H,4-5,8,16H2,1H3,(H,29,31)
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n/an/an/an/a 29.3n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111008
PNG
(5-{3-[4-(5-Methyl-2-phenyl-thiazol-4-ylmethoxy)-ph...)
Show SMILES Cc1sc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27)
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n/an/an/an/a 269n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111009
PNG
(5-{3-[4-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-phe...)
Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O5/c1-15-19(24-22(29-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)30-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27)
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n/an/an/an/a 119n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50111007
PNG
(5-{3-[6-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-pyr...)
Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O5/c1-14-17(24-21(29-14)16-7-3-2-4-8-16)13-28-19-11-10-15(12-23-19)6-5-9-18-20(26)25-22(27)30-18/h2-4,7-8,10-12,26H,5-6,9,13H2,1H3,(H,25,27)
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n/an/an/an/a 16.5n/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha


J Med Chem 45: 1518-34 (2002)


BindingDB Entry DOI: 10.7270/Q2SJ1JXC
More data for this
Ligand-Target Pair