Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50065779'   

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))	BDBM50065779 (CHEMBL100426 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H20ClN5O2/c1-28(18-9-4-2-5-10-18,19-11-6-3-7-12-19)26(35)32-27-30-22-15-14-20(29)17-21(22)25-31-24(33-34(25)27)23-13-8-16-36-23/h2-17H,1H3,(H,30,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
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