BDBM50182320 (2S,4R,5R)-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::CHEMBL382046

SMILES: CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC)ncnc12

InChI Key: InChIKey=HHCGVVLQOZFLBA-KEHGIVTQSA-N

Data: 1 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 1 hit for monomerid = 50182320   

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 A3 (Homo sapiens (Human))	BDBM50182320 ((2S,4R,5R)-4-hydroxy-N-methyl-5-(6-(methylamino)-9...) Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H16N6O3/c1-13-9-8-10(16-4-15-9)18(5-17-8)12-6(19)3-7(21-12)11(20)14-2/h4-7,12,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem Lett 16: 2525-7 (2006) Article DOI: 10.1016/j.bmcl.2006.01.088 BindingDB Entry DOI: 10.7270/Q2J38S4Z
					More data for this Ligand-Target Pair