Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50081677'   

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 receptor A3 (Homo sapiens (Human))	BDBM50081677 (2-(2-Benzyloxy-ethyl)-3-ethylsulfanylcarbonyl-1-me...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C31H38NO4S/c1-5-14-25-27(31(34)37-7-3)26(19-21-35-22-23-15-10-8-11-16-23)32(4)29(24-17-12-9-13-18-24)28(25)30(33)36-20-6-2/h8-13,15-18H,5-7,14,19-22H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
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