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SMILES: Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1

InChI Key: InChIKey=CECMCHUAHZIDKZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377544   

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))	BDBM50377544 (CHEMBL407049) Show SMILES Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1 Show InChI InChI=1S/C18H17N5O/c19-18-21-16(15-9-5-11-24-15)14-12-20-23(17(14)22-18)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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))	BDBM50377544 (CHEMBL407049) Show SMILES Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1 Show InChI InChI=1S/C18H17N5O/c19-18-21-16(15-9-5-11-24-15)14-12-20-23(17(14)22-18)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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