Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50309494'   

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))	BDBM50309494 ((1R,2S,3R,5S)-3-(2-(2-(1-ethyl-1H-imidazol-4-yl)et...) Show SMILES CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CO)cn1 |r| Show InChI InChI=1S/C27H40N10O3/c1-4-17(5-2)10-29-25-22-26(34-27(33-25)28-8-7-19-13-35(6-3)15-30-19)36(16-31-22)20-9-21(24(40)23(20)39)37-12-18(14-38)11-32-37/h11-13,15-17,20-21,23-24,38-40H,4-10,14H2,1-3H3,(H2,28,29,33,34)/t20-,21+,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	789	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
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