Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333247'   

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))	BDBM333247 ((2S,3R,4S)-2-(8-(morpholinoamino)-[1,2,4]triazolo[...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NN3CCOCC3)nccn12 Show InChI InChI=1S/C13H18N6O3S/c20-8-7-23-10(9(8)21)12-15-16-13-11(14-1-2-19(12)13)17-18-3-5-22-6-4-18/h1-2,8-10,20-21H,3-7H2,(H,14,17)/t8-,9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	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))	BDBM333247 ((2S,3R,4S)-2-(8-(morpholinoamino)-[1,2,4]triazolo[...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NN3CCOCC3)nccn12 Show InChI InChI=1S/C13H18N6O3S/c20-8-7-23-10(9(8)21)12-15-16-13-11(14-1-2-19(12)13)17-18-3-5-22-6-4-18/h1-2,8-10,20-21H,3-7H2,(H,14,17)/t8-,9-,10-/m1/s1	PDB 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