Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333227'   

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 A3 (Homo sapiens (Human))	BDBM333227 ((2S,3R,4S)-2-(8-((pyridin-4-ylmethyl)amino)-[1,2,4...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccncc3)nccn12 Show InChI InChI=1S/C15H16N6O2S/c22-10-8-24-12(11(10)23)14-19-20-15-13(17-5-6-21(14)15)18-7-9-1-3-16-4-2-9/h1-6,10-12,22-23H,7-8H2,(H,17,18)/t10-,11-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
HANDOK INC. US Patent					Assay Description HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22° C. with 0.15...				US Patent US10196396 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5HQC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM333227 ((2S,3R,4S)-2-(8-((pyridin-4-ylmethyl)amino)-[1,2,4...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccncc3)nccn12 Show InChI InChI=1S/C15H16N6O2S/c22-10-8-24-12(11(10)23)14-19-20-15-13(17-5-6-21(14)15)18-7-9-1-3-16-4-2-9/h1-6,10-12,22-23H,7-8H2,(H,17,18)/t10-,11-,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
HANDOK INC. US Patent					Assay Description HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22° C. with 0.15...				US Patent US10196396 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5HQC
					More data for this Ligand-Target Pair