Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50156598'   

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))	BDBM50156598 ((+/-)-2-furan-2-yl-7-(octahydro-pyrido[1,2-a]pyraz...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1 Show InChI InChI=1S/C17H21N7O/c18-17-20-14(23-8-7-22-6-2-1-4-12(22)11-23)10-15-19-16(21-24(15)17)13-5-3-9-25-13/h3,5,9-10,12H,1-2,4,6-8,11H2,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
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