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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50514837'   
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))
BDBM50514837
PNG
(CHEMBL4460166)
Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O
Show InChI InChI=1S/C26H34N2O2S2/c1-5-6-7-8-9-22(24(29)30)31-25-28-21-15-14-20(16-23(21)32-25)27-17-18-10-12-19(13-11-18)26(2,3)4/h10-16,22,27H,5-9,17H2,1-4H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay


J Med Chem 63: 4555-4561 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01786
BindingDB Entry DOI: 10.7270/Q2DB856K
More data for this
Ligand-Target Pair