Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50316892'   

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))	BDBM50316892 (2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...) Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
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