Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50052383'   

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))	BDBM50052383 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C13H19NO4/c1-6-18-13(16)11-7(2)10(12(15)17-5)8(3)14-9(11)4/h7,10H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052383 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C13H19NO4/c1-6-18-13(16)11-7(2)10(12(15)17-5)8(3)14-9(11)4/h7,10H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052383 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C13H19NO4/c1-6-18-13(16)11-7(2)10(12(15)17-5)8(3)14-9(11)4/h7,10H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair