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BDBM50106105 2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-trifluoromethyl-phenyl)-acetyl]-amino}-propyl)-phenoxy]-2-methyl-propionic acid::CHEMBL102004

SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O

InChI Key: InChIKey=NZLNOHAQQIEZHC-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 = 50106105   
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 delta


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 19n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR delta


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 19n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR delta chimera


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 620n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR alpha chimera


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 28n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR gamma


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR gamma chimera


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a>1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR alpha


Bioorg Med Chem Lett 11: 2959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair