Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50317879'   

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 A1 (Homo sapiens (Human))	BDBM50317879 (CHEMBL1098521 | N6-(1,1,3,3-Tetramethylisoindolin-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r| Show InChI InChI=1S/C23H29N7O5/c1-22(2)12-7-6-11(8-13(12)23(3,4)30(22)34)28-18-14-19(26-9-25-18)29(10-27-14)21-16(32)15(31)17(35-21)20(33)24-5/h6-10,15-17,21,31-32,34H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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 A1 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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