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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 = 'BDBM50508116'   
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))
BDBM50508116
PNG
(CHEMBL4535401)
Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C30H31F3N4O5/c1-4-5-10-24-34-26(18(2)3)23(15-25(38)41-17-30(31,32)33)28(39)37(24)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)27-35-29(40)42-36-27/h6-9,11-14,18H,4-5,10,15-17H2,1-3H3,(H,35,36,40)
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 2.78E+3n/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