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BDBM22594 7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene::Compound D15

SMILES: COc1cc2ccccc2c2cc(oc12)[N+]([O-])=O

InChI Key: InChIKey=FJXJAAFKONAPKR-UHFFFAOYSA-N

Data: 1 EC50  1 ITC

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 = 22594   
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM22594
PNG
(7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trid...)
Show SMILES COc1cc2ccccc2c2cc(oc12)[N+]([O-])=O
Show InChI InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.47E+3n/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...


Bioorg Med Chem 17: 7021-30 (2009)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 22594
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
HIV-1 Nef

(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM22594
JPEG
(7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trid...)
GoogleScholar
PDB
PC cid
PC sid
-6.69-6.26-0.4304.96725



Centre National de la Recherche Scientifique





Proc Natl Acad Sci USA 104: 19256-61 (2007)