BDBM50182314 (2S,3S,4R,5R)-3-acetamido-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::CHEMBL205298

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

InChI Key: InChIKey=MTZPFZPILJRXFE-GQYFUAMRSA-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 = 50182314   

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))	BDBM50182314 ((2S,3S,4R,5R)-3-acetamido-4-hydroxy-N-methyl-5-(6-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NC(C)=O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C14H19N7O4/c1-6(22)20-7-9(23)14(25-10(7)13(24)16-3)21-5-19-8-11(15-2)17-4-18-12(8)21/h4-5,7,9-10,14,23H,1-3H3,(H,16,24)(H,20,22)(H,15,17,18)/t7-,9+,10-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	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