Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50003690'   

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))	BDBM50003690 (CHEMBL3234942) Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc(OC(F)(F)F)cc2)c1C#N Show InChI InChI=1S/C22H13ClF3N5OS2/c23-14-5-1-13(2-6-14)20-29-15(10-33-20)11-34-21-30-18(17(9-27)19(28)31-21)12-3-7-16(8-4-12)32-22(24,25)26/h1-8,10H,11H2,(H2,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	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 after 1 hr by beta scintillation counting analysis				J Med Chem 57: 3213-22 (2014) Article DOI: 10.1021/jm401643m BindingDB Entry DOI: 10.7270/Q27P90X6
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