Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50117143'   

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))	BDBM50117143 (CHEMBL3613120) Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(O)cc2)c1C#N Show InChI InChI=1S/C23H14ClN5OS2/c24-15-5-1-14(2-6-15)22-28-16(11-31-22)12-32-23-19(10-26)20(18(9-25)21(27)29-23)13-3-7-17(30)8-4-13/h1-8,11,30H,12H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay				Eur J Med Chem 101: 681-91 (2015) Article DOI: 10.1016/j.ejmech.2015.07.023 BindingDB Entry DOI: 10.7270/Q2FX7C8R
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