Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50055089'   

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))	BDBM50055089 (CHEMBL3317554) Show SMILES Nc1nc(Cc2ccccc2O)nc2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C18H15N5O/c19-18-17-14(11-23(22-17)13-7-2-1-3-8-13)20-16(21-18)10-12-6-4-5-9-15(12)24/h1-9,11,24H,10H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
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