Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50499059'   

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))	BDBM50499059 (CHEMBL3736461) Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
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