Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50341606'   

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))	BDBM50341606 (1-(2,5-dimethoxyphenyl)-3-(4-oxo-3-phenyl-3,4-dihy...) Show SMILES COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 Show InChI InChI=1S/C23H20N4O4/c1-30-16-12-13-20(31-2)19(14-16)24-23(29)25-21-17-10-6-7-11-18(17)22(28)27(26-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H2,24,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 54: 2102-13 (2011) Article DOI: 10.1021/jm101328n BindingDB Entry DOI: 10.7270/Q2P84C7S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50341606 (1-(2,5-dimethoxyphenyl)-3-(4-oxo-3-phenyl-3,4-dihy...) Show SMILES COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 Show InChI InChI=1S/C23H20N4O4/c1-30-16-12-13-20(31-2)19(14-16)24-23(29)25-21-17-10-6-7-11-18(17)22(28)27(26-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H2,24,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.25	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation after 15 mi...				J Med Chem 54: 2102-13 (2011) Article DOI: 10.1021/jm101328n BindingDB Entry DOI: 10.7270/Q2P84C7S
					More data for this Ligand-Target Pair