BDBM50199983 2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methyladenine::CHEMBL374768

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

InChI Key: InChIKey=KKMQZSVEHSFONP-MOROJQBDSA-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 = 50199983   

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))	BDBM50199983 (2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl...) Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C19H27N9O4/c1-4-6-7-10-8-28(26-25-10)19-23-15(20-3)11-16(24-19)27(9-22-11)18-13(30)12(29)14(32-18)17(31)21-5-2/h8-9,12-14,18,29-30H,4-7H2,1-3H3,(H,21,31)(H,20,23,24)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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))	BDBM50199983 (2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl...) Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C19H27N9O4/c1-4-6-7-10-8-28(26-25-10)19-23-15(20-3)11-16(24-19)27(9-22-11)18-13(30)12(29)14(32-18)17(31)21-5-2/h8-9,12-14,18,29-30H,4-7H2,1-3H3,(H,21,31)(H,20,23,24)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	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