BDBM50335306 (2R,3R,4S,5R)-2-(6-amino-8-(ethylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL1651376

SMILES: CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=CZRZPNNAKQLGLZ-IOSLPCCCSA-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 = 50335306   

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))	BDBM50335306 ((2R,3R,4S,5R)-2-(6-amino-8-(ethylthio)-9H-purin-9-...) Show SMILES CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17N5O4S/c1-2-22-12-16-6-9(13)14-4-15-10(6)17(12)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysis				J Med Chem 54: 107-21 (2011) Article DOI: 10.1021/jm101286g BindingDB Entry DOI: 10.7270/Q2K64K1Z
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