BDBM50360200 CHEMBL1927424

SMILES: Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1

InChI Key: InChIKey=JVGXNLGFJFMKDV-UHFFFAOYSA-O

Data: 1 KI  1 IC50

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 = 50360200   

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))	BDBM50360200 (CHEMBL1927424) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1 Show InChI InChI=1S/C12H14N8O/c13-10-16-11(19-5-3-14-4-6-19)17-12-15-9(18-20(10)12)8-2-1-7-21-8/h1-2,7,14H,3-6H2,(H2,13,15,16,17,18)/p+1	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	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50360200 (CHEMBL1927424) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1 Show InChI InChI=1S/C12H14N8O/c13-10-16-11(19-5-3-14-4-6-19)17-12-15-9(18-20(10)12)8-2-1-7-21-8/h1-2,7,14H,3-6H2,(H2,13,15,16,17,18)/p+1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair