Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50170830'   

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))	BDBM50170830 (CHEMBL187458 | N*6*-Cycloheptyl-N*2*-phenyl-9H-pur...) Show SMILES C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 Show InChI InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
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