Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'piscopio' and Initial = 'a'   

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 A1 (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX iradioligand n membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159960 (8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159960 (8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159975 (8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159972 (1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159972 (1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50159975 (8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159975 (8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159975 (8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159969 (4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159971 (8-{4-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-7-11-19(12-8-16)36-15-20-28-24(37-31-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159964 (8-{4-[5-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-6-12-20(13-7-17)37-16-21-28-25(38-31-21)18-8-10-19(36-3)11-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159968 (1,3-Dipropyl-8-{4-[5-(4-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-23-21(25(37)36(14-4-2)26(35)38)32-22(33-23)16-7-11-19(12-8-16)39-15-20-31-24(40-34-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159969 (4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159981 (1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159960 (8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 (2 nM) radioligand in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159966 (1,3-Dipropyl-8-[4-(5-o-tolyl-[1,2,4]oxadiazol-3-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-19(13-11-18)36-16-21-28-25(37-31-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159981 (1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	473	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159958 (1,3-Dipropyl-8-{4-[3-(4-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-7-11-19(12-8-16)39-15-20-31-23(34-40-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	485	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159974 (1,3-Dipropyl-8-[4-(3-p-tolyl-[1,2,4]oxadiazol-5-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-20(13-11-18)36-16-21-28-24(31-37-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159967 (8-{4-[3-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)17-10-12-18(13-11-17)37-16-21-28-24(31-38-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	557	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159974 (1,3-Dipropyl-8-[4-(3-p-tolyl-[1,2,4]oxadiazol-5-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-20(13-11-18)36-16-21-28-24(31-37-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159988 (8-{4-[5-(2-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2F)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-9-11-17(12-10-16)36-15-20-28-24(37-31-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	645	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159985 (1,3-Dipropyl-8-[4-(5-m-tolyl-[1,2,4]oxadiazol-3-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(C)c2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)18-9-11-20(12-10-18)36-16-21-28-25(37-31-21)19-8-6-7-17(3)15-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159965 (1,3-Dipropyl-8-{4-[3-(3-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-12-35-24-21(25(37)36(13-4-2)26(35)38)32-22(33-24)16-8-10-19(11-9-16)39-15-20-31-23(34-40-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	945	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50159972 (1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 (2 nM) radioligand in membranes from HEK-A2A cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159984 (1,3-Dipropyl-8-{4-[5-(3-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-12-35-23-21(25(37)36(13-4-2)26(35)38)32-22(33-23)16-8-10-19(11-9-16)39-15-20-31-24(40-34-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159979 (1,3-Dipropyl-8-[4-(3-o-tolyl-[1,2,4]oxadiazol-5-yl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1 Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-19(13-11-18)36-16-21-28-24(31-37-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159970 (8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159958 (1,3-Dipropyl-8-{4-[3-(4-trifluoromethyl-phenyl)-[1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-7-11-19(12-8-16)39-15-20-31-23(34-40-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159962 (8-{4-[3-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159983 (8-{4-[3-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylme...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-25-22(26(34)33(14-5-2)27(32)35)29-23(30-25)17-9-11-19(12-10-17)37-16-21-28-24(31-38-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159977 (8-{4-[3-(2-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C26H25ClN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-9-11-17(12-10-16)36-15-20-28-23(31-37-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50159959 (8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells				Bioorg Med Chem Lett 15: 609-12 (2005) Article DOI: 10.1016/j.bmcl.2004.11.044 BindingDB Entry DOI: 10.7270/Q29K49QX
					More data for this Ligand-Target Pair

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