Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090871'   

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))	BDBM50090871 (2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N4O3/c1-9-13(22)14(23)17(24-9)21-7-11(10-5-3-2-4-6-10)12-15(18)19-8-20-16(12)21/h2-9,13-14,17,22-23H,1H3,(H2,18,19,20)/t9-,13-,14-,17-/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	320	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
Adenosine kinase (Homo sapiens (Human))	BDBM50090871 (2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N4O3/c1-9-13(22)14(23)17(24-9)21-7-11(10-5-3-2-4-6-10)12-15(18)19-8-20-16(12)21/h2-9,13-14,17,22-23H,1H3,(H2,18,19,20)/t9-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2894-905 (2000) BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
					More data for this Ligand-Target Pair