Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50478206'   

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))	BDBM50478206 (CHEMBL405868) Show SMILES OCCNc1nc2ccccc2n2nc(nc12)-c1ccco1 Show InChI InChI=1S/C15H13N5O2/c21-8-7-16-14-15-18-13(12-6-3-9-22-12)19-20(15)11-5-2-1-4-10(11)17-14/h1-6,9,21H,7-8H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2103-13 (2008) Article DOI: 10.1016/j.bmc.2007.10.103 BindingDB Entry DOI: 10.7270/Q27H1NC4
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