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)	Ligand	Target/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	pH	Temp °C
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM22594 (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					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 K	pH	Temp °C
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM22594 (7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trid...)	GoogleScholar PDB	PC cid PC sid		-6.69	-6.26	-0.430	4.96	7	25
Centre National de la Recherche Scientifique					Proc Natl Acad Sci USA 104: 19256-61 (2007)