BDBM50149361 4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL116827

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

InChI Key: InChIKey=JNRCICWEAQCTEH-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 = 50149361   

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))	BDBM50149361 (4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C16H14N6O2/c1-24-10-7-5-9(6-8-10)22-16(23)21-12-4-2-3-11(17)13(12)19-14(18)15(21)20-22/h2-8H,17H2,1H3,(H2,18,19)	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
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 A1 (Homo sapiens (Human))	BDBM50149361 (4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C16H14N6O2/c1-24-10-7-5-9(6-8-10)22-16(23)21-12-4-2-3-11(17)13(12)19-14(18)15(21)20-22/h2-8H,17H2,1H3,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	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 A1 receptor expressed in CHO cells using [3H]CHA				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 A2a (Homo sapiens (Human))	BDBM50149361 (4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C16H14N6O2/c1-24-10-7-5-9(6-8-10)22-16(23)21-12-4-2-3-11(17)13(12)19-14(18)15(21)20-22/h2-8H,17H2,1H3,(H2,18,19)	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	1.05E+3	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 Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes				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))	BDBM50149361 (4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazol...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O Show InChI InChI=1S/C16H14N6O2/c1-24-10-7-5-9(6-8-10)22-16(23)21-12-4-2-3-11(17)13(12)19-14(18)15(21)20-22/h2-8H,17H2,1H3,(H2,18,19)	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