Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50163408'   

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))	BDBM50163408 (2-Furan-2-yl-N*5*-[(R)-1-(3-methyl-benzyl)-pyrroli...) Show SMILES Cc1cccc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c1 Show InChI InChI=1S/C21H24N8O/c1-14-5-2-6-15(11-14)13-28-9-3-7-16(28)12-23-20-25-19(22)29-21(26-20)24-18(27-29)17-8-4-10-30-17/h2,4-6,8,10-11,16H,3,7,9,12-13H2,1H3,(H3,22,23,24,25,26,27)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
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