Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.4 BDBM50174601

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))	BDBM50174601 ((1R,2R,3R)-2-[5-(3-Amino-phenyl)-4-(4-fluoro-pheny...) Show SMILES Nc1cccc(c1)-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(F)cc3)c12 Show InChI InChI=1S/C22H20FN5O3/c23-13-4-6-15(7-5-13)27-20-18-16(12-2-1-3-14(24)8-12)9-28(21(18)26-11-25-20)22-19(30)17(29)10-31-22/h1-9,11,17,19,22,29-30H,10,24H2,(H,25,26,27)/t17-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand				J Med Chem 48: 6430-41 (2005) Article DOI: 10.1021/jm0503650 BindingDB Entry DOI: 10.7270/Q2DV1JFS
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