BDBM50215112 (1R,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymethyl-2-oxa-5-aza-bicyclo[2.2.1]heptan-7-ol::CHEMBL235542

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O

InChI Key: InChIKey=BTFLGXGCFRVEPF-ZGUVBZSNSA-N

Data: 1 IC50  1 EC50

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 = 50215112   

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))	BDBM50215112 ((1R,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H14N6O3/c12-8-6-9(15-3-14-8)17(4-16-6)10-5-7(19)11(2-18,20-10)1-13-5/h3-5,7,10,13,18-19H,1-2H2,(H2,12,14,15)/t5-,7+,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50215112 ((1R,3R,4R,7S)-3-(6-amino-purin-9-yl)-1-hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O Show InChI InChI=1S/C11H14N6O3/c12-8-6-9(15-3-14-8)17(4-16-6)10-5-7(19)11(2-18,20-10)1-13-5/h3-5,7,10,13,18-19H,1-2H2,(H2,12,14,15)/t5-,7+,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Santaris Pharma A/S Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor after 15 to 30 mins				Bioorg Med Chem 15: 5440-7 (2007) Article DOI: 10.1016/j.bmc.2007.05.056 BindingDB Entry DOI: 10.7270/Q2086515
					More data for this Ligand-Target Pair