Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50174597'   

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))	BDBM50174597 ((1R,2R,3R)-2-[4-(4-Bromo-phenylamino)-5-phenyl-pyr...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(Br)cc3)ncnc12 Show InChI InChI=1S/C22H19BrN4O3/c23-14-6-8-15(9-7-14)26-20-18-16(13-4-2-1-3-5-13)10-27(21(18)25-12-24-20)22-19(29)17(28)11-30-22/h1-10,12,17,19,22,28-29H,11H2,(H,24,25,26)/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	5	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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