Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50137516'   

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))	BDBM50137516 (CHEMBL3754704) Show SMILES CNc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human A1 adenosine receptor expressed in CHO cell membranes				Eur J Med Chem 108: 529-41 (2016) Article DOI: 10.1016/j.ejmech.2015.12.019 BindingDB Entry DOI: 10.7270/Q22R3THM
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