Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50179038'   

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 (Rattus norvegicus)	BDBM50179038 ((2S,3S,4R,5R)-5-(6-(2-(2,4-dichlorophenyl)acetamid...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12 Show InChI InChI=1S/C20H20Cl2N6O5/c1-2-23-19(32)16-14(30)15(31)20(33-16)28-8-26-13-17(24-7-25-18(13)28)27-12(29)5-9-3-4-10(21)6-11(9)22/h3-4,6-8,14-16,20,30-31H,2,5H2,1H3,(H,23,32)(H,24,25,27,29)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179038 ((2S,3S,4R,5R)-5-(6-(2-(2,4-dichlorophenyl)acetamid...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12 Show InChI InChI=1S/C20H20Cl2N6O5/c1-2-23-19(32)16-14(30)15(31)20(33-16)28-8-26-13-17(24-7-25-18(13)28)27-12(29)5-9-3-4-10(21)6-11(9)22/h3-4,6-8,14-16,20,30-31H,2,5H2,1H3,(H,23,32)(H,24,25,27,29)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
					More data for this Ligand-Target Pair