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BDBM50229217 CHEMBL402100::N-(4-(2,2,2-trifluoroacetamido)benzyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamide

SMILES: Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PALPAEXDGPKNEA-UHFFFAOYSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50229217   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a 450n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair