Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50254897'   

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 (Homo sapiens (Human))	BDBM50254897 (1-Benzyl-7-methyl-3-(2-hydroxy-propyl)-1H,8H-imida...) Show SMILES Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1 Show InChI InChI=1S/C18H19N5O3/c1-12-10-22-14-15(20-17(22)19-12)23(11-13-6-3-2-4-7-13)18(26)21(16(14)25)8-5-9-24/h2-4,6-7,10,24H,5,8-9,11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
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