Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50355159'   

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))	BDBM50355159 (CHEMBL1834700) Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs				Bioorg Med Chem 19: 6120-34 (2011) Article DOI: 10.1016/j.bmc.2011.08.026 BindingDB Entry DOI: 10.7270/Q2GX4BZG
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