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BDBM50137104 CHEMBL3753560

SMILES: [#6]-[#8]-c1ccc(-[#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-c2ccc(-[#8]-[#6])cc2)-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc2)cc1

InChI Key: InChIKey=FNDYSBXMQXZNQW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50137104   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50137104
PNG
(CHEMBL3753560)
Show SMILES COc1ccc(COCCN(CCOCc2ccc(OC)cc2)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1
Show InChI InChI=1S/C31H33N3O7/c1-38-26-11-5-23(6-12-26)20-40-17-15-34(16-18-41-21-24-7-13-27(39-2)14-8-24)25-9-3-22(4-10-25)19-28-29(35)32-31(37)33-30(28)36/h3-14,19H,15-18,20-21H2,1-2H3,(H2,32,33,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.91E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged human PPAR-gamma receptor by FRET assay


Eur J Med Chem 108: 423-35 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.030
BindingDB Entry DOI: 10.7270/Q2KP841X
More data for this
Ligand-Target Pair