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BDBM50382068 CHEMBL2024610

SMILES: CCCCCS(=O)(=O)NC(=O)C(Cc1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F)OC

InChI Key: InChIKey=ADFCNDWZLVACPM-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50382068   
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))
BDBM50382068
PNG
(CHEMBL2024610)
Show SMILES CCCCCS(=O)(=O)NC(=O)C(Cc1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F)OC
Show InChI InChI=1S/C24H30ClF3N2O7S/c1-4-5-6-11-38(32,33)30-22(31)21(35-3)12-16-7-8-18(36-10-9-34-2)14-20(16)37-23-19(25)13-17(15-29-23)24(26,27)28/h7-8,13-15,21H,4-6,9-12H2,1-3H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.70n/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma1 expressed in CHO-K1 cells co-expressing RXRalpha and PPRE after 1 day by luciferase reporter gene assay


Bioorg Med Chem 20: 3332-58 (2012)


Article DOI: 10.1016/j.bmc.2012.03.036
BindingDB Entry DOI: 10.7270/Q2NK3G26
More data for this
Ligand-Target Pair