Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50423867'   

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))	BDBM50423867 (CHEMBL2023737) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCOCCOCCN)nc3ccccc3n2c1=O Show InChI InChI=1S/C26H31N7O6/c1-37-19-8-6-18(7-9-19)33-26(36)32-21-5-3-2-4-20(21)29-24(25(32)31-33)30-23(35)11-10-22(34)28-13-15-39-17-16-38-14-12-27/h2-9H,10-17,27H2,1H3,(H,28,34)(H,29,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NECA-induced CRE-SPAP gene t...				J Med Chem 55: 1771-82 (2012) Article DOI: 10.1021/jm201722y BindingDB Entry DOI: 10.7270/Q2ST7R4K
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