Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50151199'   

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))	BDBM50151199 (2-Furan-2-yl-5-(4-pyridin-2-ylmethyl-piperazin-1-y...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C18H19N9O/c19-16-22-17(23-18-21-15(24-27(16)18)14-5-3-11-28-14)26-9-7-25(8-10-26)12-13-4-1-2-6-20-13/h1-6,11H,7-10,12H2,(H2,19,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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 rat cerebral cortex adenosine A1 receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
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