Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333214'   

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))	BDBM333214 ((2S,3R,4S)-2-(8-((3-(trifluoromethyl)benzyl)amino)...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(c3)C(F)(F)F)nccn12 Show InChI InChI=1S/C17H16F3N5O2S/c18-17(19,20)10-3-1-2-9(6-10)7-22-14-16-24-23-15(25(16)5-4-21-14)13-12(27)11(26)8-28-13/h1-6,11-13,26-27H,7-8H2,(H,21,22)/t11-,12-,13-/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))	BDBM333214 ((2S,3R,4S)-2-(8-((3-(trifluoromethyl)benzyl)amino)...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(c3)C(F)(F)F)nccn12 Show InChI InChI=1S/C17H16F3N5O2S/c18-17(19,20)10-3-1-2-9(6-10)7-22-14-16-24-23-15(25(16)5-4-21-14)13-12(27)11(26)8-28-13/h1-6,11-13,26-27H,7-8H2,(H,21,22)/t11-,12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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