Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50174605'   

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))	BDBM50174605 (4-[5-(4-Chloro-phenyl)-7-((1R,2R,3R)-3,4-dihydroxy...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(cc3)C#N)ncnc12 Show InChI InChI=1S/C23H18ClN5O3/c24-15-5-3-14(4-6-15)17-10-29(23-20(31)18(30)11-32-23)22-19(17)21(26-12-27-22)28-16-7-1-13(9-25)2-8-16/h1-8,10,12,18,20,23,30-31H,11H2,(H,26,27,28)/t18-,20-,23-/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	7	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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