BDBM50199974 2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)-adenine::CHEMBL219056

SMILES: CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=PSQFDQOKKSGVIF-XNIJJKJLSA-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 = 50199974   

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))	BDBM50199974 (2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...) Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H24N8O4/c1-3-4-5-9-6-25(23-22-9)17-20-14(18-2)11-15(21-17)24(8-19-11)16-13(28)12(27)10(7-26)29-16/h6,8,10,12-13,16,26-28H,3-5,7H2,1-2H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	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))	BDBM50199974 (2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...) Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C17H24N8O4/c1-3-4-5-9-6-25(23-22-9)17-20-14(18-2)11-15(21-17)24(8-19-11)16-13(28)12(27)10(7-26)29-16/h6,8,10,12-13,16,26-28H,3-5,7H2,1-2H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	848	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