BDBM50086146 CHEMBL16305::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-acetamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide

SMILES: CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O

InChI Key: InChIKey=JDAOAIAUVIWPFE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50086146   

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))	BDBM50086146 (CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086146 (CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
Adenosine A1 receptor (BOVINE)	BDBM50086146 (CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50086146 (CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 [3H]DPCPX from adenosine A1 receptor in bovine brain membranes				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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50086146 (CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...) Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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 [3H]DPCPX from human adenosine A1 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