Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50375635'   

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))	BDBM50375635 (CHEMBL409736) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC)c2)n1 Show InChI InChI=1S/C25H31N7O5/c1-6-10-30-23-21(24(34)31(11-7-2)25(30)35)27-22(28-23)17-12-15(3)32(29-17)14-20(33)26-16-8-9-18(36-4)19(13-16)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
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