Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50074224'   

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))	BDBM50074224 (6-Ethyl-2-phenyl-4-propyl-5-[2-(tetrahydro-pyran-2...) Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCOC2CCCCO2)c(CC)nc1-c1ccccc1 Show InChI InChI=1S/C28H37NO5S/c1-4-12-21-24(28(31)35-19-18-33-23-15-10-11-17-32-23)22(6-3)29-26(20-13-8-7-9-14-20)25(21)27(30)34-16-5-2/h7-9,13-14,23H,4-6,10-12,15-19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	517	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
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