Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 459.9 BDBM50339514

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50339514 ((+/-)-6-Ethyl-6-[4-[(2-chlorophenylthio)methyl]phe...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2Cl)cc1 Show InChI InChI=1S/C27H22ClNO2S/c1-2-27(20-15-13-19(14-16-20)18-32-25-12-6-3-8-21(25)28)26(30)23-10-7-17-29(23)22-9-4-5-11-24(22)31-27/h3-17H,2,18H2,1H3	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+3	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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