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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 = 'BDBM50508111'   
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))
BDBM50508111
PNG
(CHEMBL4520827)
Show SMILES CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,7|
Show InChI InChI=1S/C27H33N7S/c1-5-6-11-25-28-19(2)22(16-26(35)33(3)4)18-34(25)17-20-12-14-21(15-13-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Boryung Pharmaceuticals Co. Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma


Bioorg Med Chem Lett 29: 631-637 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.043
BindingDB Entry DOI: 10.7270/Q22B929Z
More data for this
Ligand-Target Pair