BDBM50300872 (2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL576838

SMILES: Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=YMCJJBIBVPMGMO-YXYADJKSSA-N

Data: 3 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 3 hits for monomerid = 50300872   

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))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50300872 ((2R,3R,4S,5R)-2-(2-(2-(1,4-dioxan-2-yl)ethylthio)-...) Show SMILES Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N5O6S/c17-13-10-14(20-16(19-13)28-4-1-8-6-25-2-3-26-8)21(7-18-10)15-12(24)11(23)9(5-22)27-15/h7-9,11-12,15,22-24H,1-6H2,(H2,17,19,20)/t8?,9-,11-,12-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins				J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379
					More data for this Ligand-Target Pair