Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50063184'   

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 (BOVINE)	BDBM50063184 (CHEMBL161051 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...) Show SMILES CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12 Show InChI InChI=1S/C18H21ClN6/c1-12-5-4-7-14(9-12)22-17-16-18(21-11-20-17)25(24-23-16)10-13-6-2-3-8-15(13)19/h2-3,6,8,11-12,14H,4-5,7,9-10H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...				J Med Chem 41: 668-73 (1998) Article DOI: 10.1021/jm9701334 BindingDB Entry DOI: 10.7270/Q2CR5SG9
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