Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50339527'   

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))	BDBM50339527 ((+/-)-6-Ethyl-6-[4-[[4-[2-(trimethylsilyl)ethynyl]...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(cc2)C#C[Si](C)(C)C)cc1 Show InChI InChI=1S/C32H31NO2SSi/c1-5-32(31(34)29-10-8-21-33(29)28-9-6-7-11-30(28)35-32)26-16-12-25(13-17-26)23-36-27-18-14-24(15-19-27)20-22-37(2,3)4/h6-19,21H,5,23H2,1-4H3	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	1.00E+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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