Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50274075'   

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 (Homo sapiens (Human))	BDBM50274075 (CHEMBL1561896) Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in cell membranes after 60 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
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