Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50317878'   

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))	BDBM50317878 (CHEMBL1098520 | N6-(4-(2-Aminoethyl)-2,6-di-tert-b...) Show SMILES CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r| Show InChI InChI=1S/C26H37N5O5/c1-25(2,3)15-9-14(10-16(19(15)33)26(4,5)6)7-8-27-22-18-23(29-12-28-22)31(13-30-18)24-21(35)20(34)17(11-32)36-24/h9-10,12-13,17,20-21,24,32-35H,7-8,11H2,1-6H3,(H,27,28,29)/t17-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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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