Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50339515'   

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))	BDBM50339515 ((+/-)-6-Ethyl-6-[4-[(3-methylphenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2cccc(C)c2)cc1 Show InChI InChI=1S/C28H25NO2S/c1-3-28(22-15-13-21(14-16-22)19-32-23-9-6-8-20(2)18-23)27(30)25-11-7-17-29(25)24-10-4-5-12-26(24)31-28/h4-18H,3,19H2,1-2H3	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	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
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