BDBM50240434 2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal::CHEMBL280595

SMILES: Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O

InChI Key: InChIKey=VYBXRVWOQQROQZ-UHFFFAOYSA-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 = 50240434   

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
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50240434 (2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal |...) Show SMILES Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O Show InChI InChI=1S/C10H9N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-5,7H,1H2,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .				Bioorg Med Chem Lett 6: 1381-1386 (1996) Article DOI: 10.1016/0960-894X(96)00234-X BindingDB Entry DOI: 10.7270/Q29P31NC
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50240434 (2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal |...) Show SMILES Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O Show InChI InChI=1S/C10H9N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-5,7H,1H2,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	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