BDBM50189813 4-benzamido-6-nitro-2-phenyl-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL378276::N-(6-nitro-1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide

SMILES: [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21

InChI Key: InChIKey=LKQCFBQISOCGIY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50189813   

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))	BDBM50189813 (4-benzamido-6-nitro-2-phenyl-1,2-dihydro-1,2,4-tri...) Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C22H14N6O4/c29-21(14-8-3-1-4-9-14)24-19-20-25-27(15-10-5-2-6-11-15)22(30)26(20)16-12-7-13-17(28(31)32)18(16)23-19/h1-13H,(H,23,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189813 (4-benzamido-6-nitro-2-phenyl-1,2-dihydro-1,2,4-tri...) Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 Show InChI InChI=1S/C22H14N6O4/c29-21(14-8-3-1-4-9-14)24-19-20-25-27(15-10-5-2-6-11-15)22(30)26(20)16-12-7-13-17(28(31)32)18(16)23-19/h1-13H,(H,23,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair