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BDBM50245945 2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid::CHEMBL516964

SMILES: Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O

InChI Key: InChIKey=SXMPFVUTKBRPST-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 = 50245945   
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))
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/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))
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
PDB

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PC sid
UniChem
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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)
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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n/an/an/an/a 150n/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)
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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n/an/an/an/a 6.00E+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)
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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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))
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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n/an/an/an/a 69n/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