Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50055084'   

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))	BDBM50055084 (CHEMBL3317559) Show SMILES Nc1nc(Cc2ccc3OCOc3c2)nc2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C19H15N5O2/c20-19-18-14(10-24(23-18)13-4-2-1-3-5-13)21-17(22-19)9-12-6-7-15-16(8-12)26-11-25-15/h1-8,10H,9,11H2,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
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