Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50074231'   

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))	BDBM50074231 (4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4085-97 (2006) Article DOI: 10.1021/jm051112+ BindingDB Entry DOI: 10.7270/Q2KK9BC7
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50074231 (4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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 specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 706-21 (1999) Article DOI: 10.1021/jm980550w BindingDB Entry DOI: 10.7270/Q2TQ60Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50074231 (4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...) Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	410	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 specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells				J Med Chem 42: 706-21 (1999) Article DOI: 10.1021/jm980550w BindingDB Entry DOI: 10.7270/Q2TQ60Q0
					More data for this Ligand-Target Pair