BDBM50377534 CHEMBL256360

SMILES: Nc1nc(-c2ccco2)c2cnn(Cc3cccc(c3)[N+]([O-])=O)c2n1

InChI Key: InChIKey=LBRPYUOVBLAKJP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377534   

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))	BDBM50377534 (CHEMBL256360) Show SMILES Nc1nc(-c2ccco2)c2cnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H12N6O3/c17-16-19-14(13-5-2-6-25-13)12-8-18-21(15(12)20-16)9-10-3-1-4-11(7-10)22(23)24/h1-8H,9H2,(H2,17,19,20)	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	4	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 Binding affinity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50377534 (CHEMBL256360) Show SMILES Nc1nc(-c2ccco2)c2cnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H12N6O3/c17-16-19-14(13-5-2-6-25-13)12-8-18-21(15(12)20-16)9-10-3-1-4-11(7-10)22(23)24/h1-8H,9H2,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	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 Binding affinity at human adenosine A1 receptor				Bioorg Med Chem Lett 18: 2924-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.072 BindingDB Entry DOI: 10.7270/Q23779KZ
					More data for this Ligand-Target Pair