Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50360203'   

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))	BDBM50360203 (CHEMBL1927429) Show SMILES CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	963	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
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