BDBM50149365 4-Amino-6-nitro-2-(4-nitro-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL331540

SMILES: Nc1nc2c(cccc2n2c1nn(-c1ccc(cc1)[N+]([O-])=O)c2=O)[N+]([O-])=O

InChI Key: InChIKey=MACKWJKQZXXELD-UHFFFAOYSA-N

Data: 1 KI

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 = 50149365   

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
Adenosine A1 receptor (BOVINE)	BDBM50149365 (4-Amino-6-nitro-2-(4-nitro-phenyl)-2H-[1,2,4]triaz...) Show SMILES Nc1nc2c(cccc2n2c1nn(-c1ccc(cc1)[N+]([O-])=O)c2=O)[N+]([O-])=O Show InChI InChI=1S/C15H9N7O5/c16-13-14-18-20(8-4-6-9(7-5-8)21(24)25)15(23)19(14)10-2-1-3-11(22(26)27)12(10)17-13/h1-7H,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.				J Med Chem 47: 3580-90 (2004) Article DOI: 10.1021/jm031136l BindingDB Entry DOI: 10.7270/Q2CV4JHH
					More data for this Ligand-Target Pair