Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333220'   

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))	BDBM333220 ((2S,3R,4S)-2-(8-((3-methoxybenzyl)amino)-[1,2,4]tr...) Show SMILES COc1cccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)c1 Show InChI InChI=1S/C17H19N5O3S/c1-25-11-4-2-3-10(7-11)8-19-15-17-21-20-16(22(17)6-5-18-15)14-13(24)12(23)9-26-14/h2-7,12-14,23-24H,8-9H2,1H3,(H,18,19)/t12-,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))	BDBM333220 ((2S,3R,4S)-2-(8-((3-methoxybenzyl)amino)-[1,2,4]tr...) Show SMILES COc1cccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)c1 Show InChI InChI=1S/C17H19N5O3S/c1-25-11-4-2-3-10(7-11)8-19-15-17-21-20-16(22(17)6-5-18-15)14-13(24)12(23)9-26-14/h2-7,12-14,23-24H,8-9H2,1H3,(H,18,19)/t12-,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	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