Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50221705'   

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))	BDBM50221705 (9-(2-(4-chlorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...) Show SMILES Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
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