BDBM50099682 5-(2-(6-amino-9H-purin-9-yl)ethyl)-5-hydroxy-3,4-dimethoxyfuran-2(5H)-one::5-[2-(6-Amino-purin-9-yl)-ethyl]-5-hydroxy-3,4-dimethoxy-5H-furan-2-one::CHEMBL299571

SMILES: COC1=C(OC)C(O)(CCn2cnc3c(N)ncnc23)OC1=O

InChI Key: InChIKey=KSEQDTJXLIHGGT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50099682   

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 deaminase (Bos taurus (bovine))	BDBM50099682 (5-(2-(6-amino-9H-purin-9-yl)ethyl)-5-hydroxy-3,4-d...) Show SMILES COC1=C(OC)C(O)(CCn2cnc3c(N)ncnc23)OC1=O |c:2| Show InChI InChI=1S/C13H15N5O5/c1-21-8-9(22-2)13(20,23-12(8)19)3-4-18-6-17-7-10(14)15-5-16-11(7)18/h5-6,20H,3-4H2,1-2H3,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Rate of deamination in the presence of calf mucosal adenosine deaminase (ADA)				J Med Chem 44: 1749-57 (2001) BindingDB Entry DOI: 10.7270/Q21V5D7J
					More data for this Ligand-Target Pair