Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50177995'   

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))	BDBM50177995 (2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NCCCN(C)C)ncnc12 Show InChI InChI=1S/C24H32N6O4/c1-15-20(32)21(33)24(34-15)30-13-17(16-8-5-4-6-9-16)19-22(27-14-28-23(19)30)26-12-18(31)25-10-7-11-29(2)3/h4-6,8-9,13-15,20-21,24,32-33H,7,10-12H2,1-3H3,(H,25,31)(H,26,27,28)/t15-,20-,21-,24-/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	145	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human adenosine kinase				J Med Chem 48: 7808-20 (2005) Article DOI: 10.1021/jm050394a BindingDB Entry DOI: 10.7270/Q22V2FPZ
					More data for this Ligand-Target Pair