Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM333229'   

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))	BDBM333229 ((2S,3R,4S)-2-(8-((3-chlorophenethyl)amino)-[1,2,4]...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCc3cccc(Cl)c3)nccn12 Show InChI InChI=1S/C17H18ClN5O2S/c18-11-3-1-2-10(8-11)4-5-19-15-17-22-21-16(23(17)7-6-20-15)14-13(25)12(24)9-26-14/h1-3,6-8,12-14,24-25H,4-5,9H2,(H,19,20)/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))	BDBM333229 ((2S,3R,4S)-2-(8-((3-chlorophenethyl)amino)-[1,2,4]...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCc3cccc(Cl)c3)nccn12 Show InChI InChI=1S/C17H18ClN5O2S/c18-11-3-1-2-10(8-11)4-5-19-15-17-22-21-16(23(17)7-6-20-15)14-13(25)12(24)9-26-14/h1-3,6-8,12-14,24-25H,4-5,9H2,(H,19,20)/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	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