BDBM50199985 CHEMBL218450::N6-methyl-9-(beta-D-ribofuranosyl)-2-(1,2,3-triazol-1-yl)adenine

SMILES: CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1

InChI Key: InChIKey=PNHKSKYNPUEAHA-WOUKDFQISA-N

Data: 2 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 2 hits for monomerid = 50199985   

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))	BDBM50199985 (CHEMBL218450 | N6-methyl-9-(beta-D-ribofuranosyl)-...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r| Show InChI InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199985 (CHEMBL218450 | N6-methyl-9-(beta-D-ribofuranosyl)-...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r| Show InChI InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
					More data for this Ligand-Target Pair