Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50317873'   

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))	BDBM50317873 ((2R,3R,4S,5R)-2-(6-(2-hydroxy-1,1,3,3-tetramethyli...) Show SMILES CC1(C)N(O)C(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:14| Show InChI InChI=1S/C22H30N6O5/c1-21(2)12-6-5-11(7-13(12)22(3,4)28(21)32)26-18-15-19(24-9-23-18)27(10-25-15)20-17(31)16(30)14(8-29)33-20/h5-7,9-10,14,16-18,20,26,29-32H,8H2,1-4H3,(H,23,24)/t14-,16-,17-,18?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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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