Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50094700'   

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))	BDBM50094700 (1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 17-36				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094700 (1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human adenosine A3 receptor				Citation and Details Article DOI: 10.1007/s00044-013-0849-0 BindingDB Entry DOI: 10.7270/Q22Z18GV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094700 (1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Padova Curated by ChEMBL					Assay Description Binding affinity for human adenosine A3 receptor				J Med Chem 48: 152-62 (2005) Article DOI: 10.1021/jm049662f BindingDB Entry DOI: 10.7270/Q2183609
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094700 (1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair