Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50109450'   

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))	BDBM50109450 (4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 HEK cells; range 19-34				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))	BDBM50109450 (4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 45: 3579-82 (2002) BindingDB Entry DOI: 10.7270/Q2SN08B3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109450 (4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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))	BDBM50109450 (4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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))	BDBM50109450 (4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 130-279				J Med Chem 45: 770-80 (2002) BindingDB Entry DOI: 10.7270/Q27W6BHW
					More data for this Ligand-Target Pair