BDBM50029136 (2S)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acetaldehyde::CHEMBL353079

SMILES: Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O

InChI Key: InChIKey=WZPKZEDPVINBHB-LURJTMIESA-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 = 50029136   

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))	BDBM50029136 ((2S)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029136 ((2S)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m0/s1	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	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair