Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50182963'   

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))	BDBM50182963 ((2S,3S,4R,5R)-N-ethyl-5-(6-(ethylamino)-2-(2-(1-hy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCCC1 Show InChI InChI=1S/C22H30N6O5/c1-3-23-18-14-19(27-13(26-18)8-11-22(32)9-6-5-7-10-22)28(12-25-14)21-16(30)15(29)17(33-21)20(31)24-4-2/h12,15-17,21,29-30,32H,3-7,9-10H2,1-2H3,(H,24,31)(H,23,26,27)/t15-,16+,17-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells				Bioorg Med Chem Lett 16: 2416-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.110 BindingDB Entry DOI: 10.7270/Q2833STJ
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