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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50401993'   
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 gamma


(Homo sapiens (Human))
BDBM50401993
PNG
(CHEMBL2204696)
Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 2.67E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00810
BindingDB Entry DOI: 10.7270/Q2N87FNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50401993
PNG
(CHEMBL2204696)
Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARgamma ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7662-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.111
BindingDB Entry DOI: 10.7270/Q2639QW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)