BDBM50086143 4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL16416

SMILES: COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O

InChI Key: InChIKey=HAYWSASVPZFTKJ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50086143   

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))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45.3	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))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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 A1 receptor (BOVINE)	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	312	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)	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	312	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 adenosine A1 receptor in bovine brain membranes by [3H]CHA 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 A2a (Homo sapiens (Human))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	376	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 A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	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	376	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))	BDBM50086143 (4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)	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