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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor' and Ligand = 'BDBM50306516'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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US Patent
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and s...


US Patent US8957093 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KNR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of radiolabled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expr...


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50306516
PNG
(4'-((2-methyl-5-(1-phenylpropylcarbamoyl)-1H-indol...)
Show SMILES CCC(NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)cc2c1)c1ccccc1
Show InChI InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)
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UniChem

Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay


Bioorg Med Chem Lett 20: 1399-404 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.107
BindingDB Entry DOI: 10.7270/Q2T43T5R
More data for this
Ligand-Target Pair