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BDBM50245843 2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid::CHEMBL460278

SMILES: CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1

InChI Key: InChIKey=AUKXWOYKKNDADD-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 = 50245843   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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PC sid
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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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n/an/an/an/a 36n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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n/an/an/an/a 2.26E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50245843
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-ethyl-1H-pyrazole-...)
Show SMILES CCn1nc(cc1-c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H35N3O4/c1-8-31-23(20-10-12-21(13-11-20)27(3,4)5)16-22(30-31)25(32)29-17-19-9-14-24(18(2)15-19)35-28(6,7)26(33)34/h9-16H,8,17H2,1-7H3,(H,29,32)(H,33,34)
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PubMed
n/an/an/an/a 15n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair