Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50335735'   

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))	BDBM50335735 (CHEMBL1650381 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...) Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H19N3O5/c1-2-3-21(26)24-20-10-15(13-4-6-16-18(8-13)29-11-27-16)23-22(25-20)14-5-7-17-19(9-14)30-12-28-17/h4-10H,2-3,11-12H2,1H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
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