Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50051238'   

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 (Rattus norvegicus (rat))	BDBM50051238 (2-Furan-2-yl-7-[2-(4-isobutyl-phenyl)-ethyl]-7H-py...) Show SMILES CC(C)Cc1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1 Show InChI InChI=1S/C22H23N7O/c1-14(2)12-16-7-5-15(6-8-16)9-10-28-20-17(13-24-28)21-25-19(18-4-3-11-30-18)27-29(21)22(23)26-20/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
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