Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50416331'   

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))	BDBM50416331 (CHEMBL1170167) Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins				Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT
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