Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368912'   

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))	BDBM50368912 (CHEMBL610662) Show SMILES CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O |r| Show InChI InChI=1S/C23H37N5O6/c1-4-6-8-10-12-26-19-15(21(32)27(23(26)33)13-11-9-7-5-2)28(14-25-19)22-17(30)16(29)18(34-22)20(31)24-3/h14,16-18,22,29-30H,4-13H2,1-3H3,(H,24,31)/t16-,17+,18-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.08E+4	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 Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor				J Med Chem 37: 4020-30 (1994) BindingDB Entry DOI: 10.7270/Q2251JTQ
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