Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50361330'   

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))	BDBM50361330 (CHEMBL1935757) Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 20: 1046-59 (2012) Article DOI: 10.1016/j.bmc.2011.11.037 BindingDB Entry DOI: 10.7270/Q26M3789
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