Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50283529'   

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 (Rattus norvegicus (rat))	BDBM50283529 (3-Benzyl-8-furan-2-yl-3H-[1,2,3]triazolo[4,5-e][1,...) Show SMILES Nc1nc2n(Cc3ccccc3)nnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H12N8O/c17-16-19-14-12(20-22-23(14)9-10-5-2-1-3-6-10)15-18-13(21-24(15)16)11-7-4-8-25-11/h1-8H,9H2,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding ability of adenosine A1 receptor by using [3H]-CHA as radioligand in rat whole brain homogenate				Bioorg Med Chem Lett 4: 2539-2544 (1994) Article DOI: 10.1016/S0960-894X(01)80279-1 BindingDB Entry DOI: 10.7270/Q2Q81D1P
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