Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50074220'   

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))	BDBM50074220 (4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...) Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.22	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)	BDBM50074220 (4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...) Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	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