null

SMILES: O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1

InChI Key: InChIKey=WSMWGDVMRLIBMG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50276707   

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 A1 (Rattus norvegicus (rat))	BDBM50276707 (CHEMBL458346 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H18N6O/c28-21(16-11-12-16)24-19-17-20(23-18(22-19)15-9-5-2-6-10-15)27(26-25-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50276707 (CHEMBL458346 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H18N6O/c28-21(16-11-12-16)24-19-17-20(23-18(22-19)15-9-5-2-6-10-15)27(26-25-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
					More data for this Ligand-Target Pair