Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50267576'   

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))	BDBM50267576 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-be...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22| Show InChI InChI=1S/C18H24ClN5O4/c1-18(27)13(26)11(6-25)28-16(18)24-7-20-12-14(22-17(19)23-15(12)24)21-10-5-8-2-3-9(10)4-8/h7-11,13,16,25-27H,2-6H2,1H3,(H,21,22,23)/t8?,9?,10?,11-,13-,16-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
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