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PubMed code 16216504

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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 delta


(Homo sapiens (Human))
BDBM50175259
PNG
((R)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m1/s1
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-delta


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50175261
PNG
(1-(5-chloro-2-methylphenyl)-3-isobutylthiourea | C...)
Show SMILES CC(C)CNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C12H17ClN2S/c1-8(2)7-14-12(16)15-11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50175259
PNG
((R)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m1/s1
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50175262
PNG
((S)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m0/s1
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-delta


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50175262
PNG
((S)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m0/s1
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50175261
PNG
(1-(5-chloro-2-methylphenyl)-3-isobutylthiourea | C...)
Show SMILES CC(C)CNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C12H17ClN2S/c1-8(2)7-14-12(16)15-11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-delta


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50175260
PNG
(1-(5-chloro-2-methylphenyl)-3-propylthiourea | CHE...)
Show SMILES CCCNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C11H15ClN2S/c1-3-6-13-11(15)14-10-7-9(12)5-4-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
PDB

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antibodypedia
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-delta


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50175260
PNG
(1-(5-chloro-2-methylphenyl)-3-propylthiourea | CHE...)
Show SMILES CCCNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C11H15ClN2S/c1-3-6-13-11(15)14-10-7-9(12)5-4-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


Bioorg Med Chem Lett 16: 113-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.034
BindingDB Entry DOI: 10.7270/Q29023BW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%