Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50470471'   

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))	BDBM50470471 (CHEMBL4294479) Show SMILES CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N5O3/c1-3-13-6-8-14(9-7-13)12-28-19(26)15-11-22-20(21-2)25-18(15)23-17(24-25)16-5-4-10-27-16/h4-11H,3,12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50470471 (CHEMBL4294479) Show SMILES CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N5O3/c1-3-13-6-8-14(9-7-13)12-28-19(26)15-11-22-20(21-2)25-18(15)23-17(24-25)16-5-4-10-27-16/h4-11H,3,12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair