BindingDB logo
myBDB logout

BDBM50246525 2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid::CHEMBL518348

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

InChI Key: InChIKey=BMCXRYMMKLEOTJ-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 = 50246525   
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))
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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)
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/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)
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 640n/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)
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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))
BDBM50246525
PNG
(2-(4-((5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H33N3O4/c1-17-14-18(8-13-23(17)34-27(5,6)25(32)33)16-28-24(31)21-15-22(30(7)29-21)19-9-11-20(12-10-19)26(2,3)4/h8-15H,16H2,1-7H3,(H,28,31)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/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