Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50074235'   

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))	BDBM50074235 (2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	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 (Homo sapiens (Human))	BDBM50074235 (2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.02E+3	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 [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50074235 (2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.26E+3	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