Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50496309'   

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))	BDBM50496309 (CHEMBL3125719) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(F)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26FN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496309 (CHEMBL3125719) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(F)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26FN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	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]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496309 (CHEMBL3125719) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(F)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26FN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as stimulation of forskolin-induced intracellular...				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair