Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50317885'   

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))	BDBM50317885 (CHEMBL1098715 | N6-(3,5-Di-tert-butyl-4-hydroxyphe...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)ncnc12 |r| Show InChI InChI=1S/C27H38N6O5/c1-26(2,3)15-10-14(11-16(18(15)34)27(4,5)6)8-9-29-22-17-23(31-12-30-22)33(13-32-17)25-20(36)19(35)21(38-25)24(37)28-7/h10-13,19-21,25,34-36H,8-9H2,1-7H3,(H,28,37)(H,29,30,31)/t19-,20+,21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
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