Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM333246'   

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))	BDBM333246 ((2S,3R,4S)-2-(8-((4-methylpiperazin-1-yl)amino)-[1...) Show SMILES CN1CCN(CC1)Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H21N7O2S/c1-19-4-6-20(7-5-19)18-12-14-17-16-13(21(14)3-2-15-12)11-10(23)9(22)8-24-11/h2-3,9-11,22-23H,4-8H2,1H3,(H,15,18)/t9-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
HANDOK INC. US Patent					Assay Description CHO cell membrane homogenates (40 μg protein), in which A1 adenosine receptors were expressed, are incubated for 60 min at 22° C. with 1 nM [3H]...				US Patent US10196396 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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