Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50038026'   

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))	BDBM50038026 (CHEMBL3359420) Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=S)C2CCCC2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H27N5S/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins				Eur J Med Chem 89: 32-41 (2014) Article DOI: 10.1016/j.ejmech.2014.10.020 BindingDB Entry DOI: 10.7270/Q2KP83SC
					More data for this Ligand-Target Pair