Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50247931'   

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))	BDBM50247931 (7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...) Show SMILES COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O Show InChI InChI=1S/C24H18F2N6O2/c1-34-17-7-2-6-16(11-17)32-22-21(13-28-23(30-22)29-15-5-4-10-27-12-15)31(24(32)33)14-18-19(25)8-3-9-20(18)26/h2-13H,14H2,1H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 1399-402 (2009) Article DOI: 10.1016/j.bmcl.2009.01.042 BindingDB Entry DOI: 10.7270/Q26973F9
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