BDBM50254301 7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL508451

SMILES: Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1

InChI Key: InChIKey=MOGTYIPADGVXJV-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 = 50254301   

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 A2a (Homo sapiens (Human))	BDBM50254301 (7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50254301 (7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50254301 (7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50254301 (7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4...) Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	844	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting				J Med Chem 52: 33-47 (2009) Article DOI: 10.1021/jm800961g BindingDB Entry DOI: 10.7270/Q2XG9R0B
					More data for this Ligand-Target Pair