Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50179032'   

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)	BDBM50179032 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	696	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)	BDBM50179032 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	696	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