Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368983'   

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))	BDBM50368983 (CHEMBL609922) Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccc(cc1)[N+]([O-])=O)c2=[NH2+] Show InChI InChI=1S/C19H21N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-3-5-11(6-4-10)26(30)31/h3-6,8-9,13-15,19-20,27-28H,2,7H2,1H3,(H,21,29)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	341	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 for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined				J Med Chem 37: 636-46 (1994) BindingDB Entry DOI: 10.7270/Q2057GJZ
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