Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50124119'   

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))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50124119 (5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) Show SMILES CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H17ClFIN6O3/c1-22-16(29)13-10(20)12(28)17(30-13)27-7-24-11-14(25-18(19)26-15(11)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,28H,6H2,1H3,(H,22,29)(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)				Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7
					More data for this Ligand-Target Pair