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SMILES: CCCCc1nc(C)c(Cc2nc(no2)C(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1

InChI Key: InChIKey=NFWXOLWPQYHMBW-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535737   
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 gamma


(Homo sapiens (Human))
BDBM50535737
PNG
(CHEMBL4546069)
Show SMILES CCCCc1nc(C)c(Cc2nc(no2)C(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C31H34N6O4/c1-6-7-12-25-32-19(2)24(17-26-33-29(36-40-26)31(3,4)5)28(38)37(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27-34-30(39)41-35-27/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,34,35,39)
PDB
MMDB

NCI pathway
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 280n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)