Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50163420'   

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))	BDBM50163420 (CHEMBL177532 | N*5*-[(R)-1-(2,3-Difluoro-benzyl)-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/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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