BDBM50149355 2-(4-Nitro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione::CHEMBL324095

SMILES: [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O

InChI Key: InChIKey=WUITWLXZVHPCHU-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50149355   

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 receptor A3 (Homo sapiens (Human))	BDBM50149355 (2-(4-Nitro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C15H9N5O4/c21-14-13-17-19(9-5-7-10(8-6-9)20(23)24)15(22)18(13)12-4-2-1-3-11(12)16-14/h1-8H,(H,16,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	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 human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA 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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149355 (2-(4-Nitro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C15H9N5O4/c21-14-13-17-19(9-5-7-10(8-6-9)20(23)24)15(22)18(13)12-4-2-1-3-11(12)16-14/h1-8H,(H,16,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Displacement of specific [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3737-43 (2005) Article DOI: 10.1016/j.bmcl.2005.05.051 BindingDB Entry DOI: 10.7270/Q28P639J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149355 (2-(4-Nitro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C15H9N5O4/c21-14-13-17-19(9-5-7-10(8-6-9)20(23)24)15(22)18(13)12-4-2-1-3-11(12)16-14/h1-8H,(H,16,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Effective concentration for inhibition of NECA-stimulated [35S]GTP-gamma-S, binding at human adenosine A3 receptor expressed in CHO cells				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