Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50393187'   

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))	BDBM50393187 (CHEMBL2153607) Show SMILES CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)| Show InChI InChI=1S/C18H27N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
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