Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50177987'   

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))	BDBM50177987 (CHEMBL200457 | N-cyclopropyl-2-(3-phenyl-1-(beta-D...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C21H24N6O5/c28-9-13-17(30)18(31)21(32-13)27-20-15(16(26-27)11-4-2-1-3-5-11)19(23-10-24-20)22-8-14(29)25-12-6-7-12/h1-5,10,12-13,17-18,21,28,30-31H,6-9H2,(H,25,29)(H,22,23,24)/t13-,17-,18-,21-/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 activity against recombinant human adenosine kinase				J Med Chem 48: 7808-20 (2005) Article DOI: 10.1021/jm050394a BindingDB Entry DOI: 10.7270/Q22V2FPZ
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