BDBM50199971 9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyl-2-(1,2,3-triazol-1-yl)adenine::CHEMBL386263

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1

InChI Key: InChIKey=VWGHFBMIRAPKSQ-AEISUSGSSA-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 = 50199971   

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))	BDBM50199971 (9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 |r| Show InChI InChI=1S/C15H19N9O4/c1-3-17-13(27)10-8(25)9(26)14(28-10)23-6-18-7-11(16-2)20-15(21-12(7)23)24-5-4-19-22-24/h4-6,8-10,14,25-26H,3H2,1-2H3,(H,17,27)(H,16,20,21)/t8-,9+,10-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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))	BDBM50199971 (9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 |r| Show InChI InChI=1S/C15H19N9O4/c1-3-17-13(27)10-8(25)9(26)14(28-10)23-6-18-7-11(16-2)20-15(21-12(7)23)24-5-4-19-22-24/h4-6,8-10,14,25-26H,3H2,1-2H3,(H,17,27)(H,16,20,21)/t8-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	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