Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333241'   

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))	BDBM333241 ((2S,3R,4S)-2-(8-((imidazo[1,2-a]pyridin-2-ylmethyl...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cn4ccccc4n3)nccn12 Show InChI InChI=1S/C17H17N7O2S/c25-11-9-27-14(13(11)26)16-21-22-17-15(18-4-6-24(16)17)19-7-10-8-23-5-2-1-3-12(23)20-10/h1-6,8,11,13-14,25-26H,7,9H2,(H,18,19)/t11-,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	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))	BDBM333241 ((2S,3R,4S)-2-(8-((imidazo[1,2-a]pyridin-2-ylmethyl...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cn4ccccc4n3)nccn12 Show InChI InChI=1S/C17H17N7O2S/c25-11-9-27-14(13(11)26)16-21-22-17-15(18-4-6-24(16)17)19-7-10-8-23-5-2-1-3-12(23)20-10/h1-6,8,11,13-14,25-26H,7,9H2,(H,18,19)/t11-,13-,14-/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