Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50049388'   

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))	BDBM50049388 (Acetic acid 5,7-diacetoxy-4-oxo-2-phenyl-4H-chrome...) Show SMILES CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O Show InChI InChI=1S/C21H16O8/c1-11(22)26-15-9-16(27-12(2)23)18-17(10-15)29-20(14-7-5-4-6-8-14)21(19(18)25)28-13(3)24/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.74E+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 Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50049388 (Acetic acid 5,7-diacetoxy-4-oxo-2-phenyl-4H-chrome...) Show SMILES CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O Show InChI InChI=1S/C21H16O8/c1-11(22)26-15-9-16(27-12(2)23)18-17(10-15)29-20(14-7-5-4-6-8-14)21(19(18)25)28-13(3)24/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.75E+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 [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair