Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.3 BDBM50507514

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine kinase (Homo sapiens (Human))	BDBM50507514 (CHEMBL4556165) Show SMILES Cn1ccc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc(N)c3c12 |r| Show InChI InChI=1S/C14H17N5O4/c1-18-3-2-6-9(18)8-12(15)16-5-17-13(8)19(6)14-11(22)10(21)7(4-20)23-14/h2-3,5,7,10-11,14,20-22H,4H2,1H3,(H2,15,16,17)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control				J Med Chem 61: 9347-9359 (2018) Article DOI: 10.1021/acs.jmedchem.8b01258 BindingDB Entry DOI: 10.7270/Q22J6G52
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