Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50279464'   

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))	BDBM50279464 (1,3-Dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)-phenyl...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-6-5-7-14(12-13)27-11-10-24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
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