Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090890'   

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))	BDBM50090890 (4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(cc3)C#N)ncnc12 Show InChI InChI=1S/C24H21N5O3/c1-14-20(30)21(31)24(32-14)29-12-18(16-5-3-2-4-6-16)19-22(26-13-27-23(19)29)28-17-9-7-15(11-25)8-10-17/h2-10,12-14,20-21,24,30-31H,1H3,(H,26,27,28)/t14-,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	PubMed	n/a	n/a	14	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
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