Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50109449'   

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))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	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))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01	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 HEK cells; range 0.65-1.58				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01	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))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109449 (CHEMBL349464 | N-(2-(furan-2-yl)-8-propyl-8H-pyraz...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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