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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 = 'BDBM50535733'   
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))
BDBM50535733
PNG
(CHEMBL4447835)
Show SMILES CCCCc1nc(C(C)C)c(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C36H35FN6O4/c1-4-5-10-31-39-33(22(2)3)29(20-32-38-30(41-46-32)19-23-13-17-26(37)18-14-23)35(44)43(31)21-24-11-15-25(16-12-24)27-8-6-7-9-28(27)34-40-36(45)47-42-34/h6-9,11-18,22H,4-5,10,19-21H2,1-3H3,(H,40,42,45)
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 1.48E+3n/an/an/an/a



Boryung Pharmaceuticals Co. Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin) assessed as receptor transactivation after 24 hrs by TK-PPRE-Luc expressing cells based luciferase rep...


Bioorg Med Chem Lett 29: 2275-2282 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.027
BindingDB Entry DOI: 10.7270/Q2RR22RG
More data for this
Ligand-Target Pair