Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM175372'   

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))	BDBM175372 (1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University					Assay Description Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...				Bioorg Chem 65: 26-37 (2016) Article DOI: 10.1016/j.bioorg.2016.01.003 BindingDB Entry DOI: 10.7270/Q2C53JN1
					More data for this Ligand-Target Pair