BDBM50189811 CHEMBL210642::N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide

SMILES: COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O

InChI Key: InChIKey=AJAKSDKKOWTRGD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50189811   

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))	BDBM50189811 (CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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)	BDBM50189811 (CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	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 A2a (Homo sapiens (Human))	BDBM50189811 (CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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]NECA from human adenosine A2A 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 receptor A1 (Homo sapiens (Human))	BDBM50189811 (CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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