Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50166243'   

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))	BDBM50166243 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-(8-iodo-6-phenylam...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(I)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H16IN5O4/c17-16-21-10-13(20-8-4-2-1-3-5-8)18-7-19-14(10)22(16)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H,18,19,20)/t9-,11-,12-,15-/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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Human Recombinant Adenosine Kinase				J Med Chem 48: 3389-99 (2005) Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF
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