Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50036472   

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))	BDBM85776 (CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29| Show InChI InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26-27H,3,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054674 (2-Methyl-6-phenyl-4-((E)-styryl)-1,4-dihydro-pyrid...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29| Show InChI InChI=1S/C31H29NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-20,26-27H,3,21H2,1-2H3/b20-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054682 (2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-9-7-6-8-10-19)23(26(30)34-5-2)21(22)16-13-18-11-14-20(15-12-18)28(31)32/h6-16,21,30H,4-5H2,1-3H3/b16-13+,26-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054679 (2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCOC(=[OH+])C1=C(C)N=C(\C(C1\C=C\c1ccc(cc1)[N+]([O-])=O)=C(\[O-])OCc1ccccc1)c1ccccc1 |c:5,8| Show InChI InChI=1S/C31H28N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(31(35)39-20-23-10-6-4-7-11-23)26(27)19-16-22-14-17-25(18-15-22)33(36)37/h4-19,26,35H,3,20H2,1-2H3/b19-16+,31-28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054684 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054685 (2-Methyl-4-[(E)-2-(2-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-7-6-8-13-19)23(26(30)34-5-2)20(22)16-15-18-11-9-10-14-21(18)28(31)32/h6-16,20,30H,4-5H2,1-3H3/b16-15+,26-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054689 (2-Methyl-6-phenyl-4-((E)-styryl)-1,4-dihydro-pyrid...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27| Show InChI InChI=1S/C31H29NO4/c1-3-35-31(34)28-26(20-19-23-13-7-4-8-14-23)27(30(33)36-21-24-15-9-5-10-16-24)22(2)32-29(28)25-17-11-6-12-18-25/h4-20,26,28H,3,21H2,1-2H3/b20-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054687 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27| Show InChI InChI=1S/C31H27NO4/c1-3-35-31(34)28-26(20-19-23-13-7-4-8-14-23)27(30(33)36-21-24-15-9-5-10-16-24)22(2)32-29(28)25-17-11-6-12-18-25/h4-18,26,28H,3,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054668 (4-[(E)-2-(4-Amino-phenyl)-vinyl]-2-methyl-6-phenyl...) Show SMILES CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24| Show InChI InChI=1S/C26H28N2O4/c1-4-31-25(29)22-17(3)28-24(19-9-7-6-8-10-19)23(26(30)32-5-2)21(22)16-13-18-11-14-20(27)15-12-18/h6-16,21-22H,4-5,27H2,1-3H3/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054670 (2-Methyl-4-[(E)-2-(4-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:33,t:30| Show InChI InChI=1S/C31H28N2O6/c1-3-38-31(35)28-26(19-16-22-14-17-25(18-15-22)33(36)37)27(30(34)39-20-23-10-6-4-7-11-23)21(2)32-29(28)24-12-8-5-9-13-24/h4-19,26,35H,3,20H2,1-2H3/b19-16+,31-28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054671 (4-[(E)-2-(2-Methoxy-phenyl)-vinyl]-2-methyl-6-phen...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25| Show InChI InChI=1S/C27H29NO5/c1-5-32-26(29)23-18(3)28-25(20-13-8-7-9-14-20)24(27(30)33-6-2)21(23)17-16-19-12-10-11-15-22(19)31-4/h7-17,21,23H,5-6H2,1-4H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054667 (2-Methyl-4-((E)-styryl)-6-thiophen-3-yl-1,4-dihydr...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23| Show InChI InChI=1S/C24H25NO4S/c1-4-28-23(26)20-16(3)25-22(18-13-14-30-15-18)21(24(27)29-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054688 (2-(4-Chloro-phenyl)-6-methyl-4-((E)-styryl)-1,4-di...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(Cl)cc1 |c:21,23| Show InChI InChI=1S/C26H26ClNO4/c1-4-31-25(29)22-17(3)28-24(19-12-14-20(27)15-13-19)23(26(30)32-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21-22H,4-5H2,1-3H3/b16-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	785	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM67935 (2,6-dimethyl-4-[(E)-2-phenylethenyl]-1,4-dihydropy...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C21H25NO4/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)13-12-16-10-8-7-9-11-16/h7-13,17-18H,5-6H2,1-4H3/b13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	887	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054672 (2-Furan-3-yl-6-methyl-4-((E)-styryl)-1,4-dihydro-p...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23| Show InChI InChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	907	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054669 (4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihyd...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30| Show InChI InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27-28H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054669 (4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihyd...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30| Show InChI InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27-28H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054686 (2-(4-Methoxy-phenyl)-6-methyl-4-((E)-styryl)-1,4-d...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23| Show InChI InChI=1S/C27H29NO5/c1-5-32-26(29)23-18(3)28-25(20-13-15-21(31-4)16-14-20)24(27(30)33-6-2)22(23)17-12-19-10-8-7-9-11-19/h7-17,22-23H,5-6H2,1-4H3/b17-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054666 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21| Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50054673 (2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1 Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054673 (2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1 Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054677 (2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1 Show InChI InChI=1S/C31H25NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18H,3,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052393 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054673 (2-Methyl-6-phenyl-4-((E)-styryl)-pyridine-3,5-dica...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1 Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50034683 ((S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-py...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,41H,11,18-23H2,1-3H3/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50054666 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21| Show InChI InChI=1S/C24H25NO4/c1-4-28-23(26)20-16(2)21(24(27)29-15-18-11-7-5-8-12-18)22(25-17(20)3)19-13-9-6-10-14-19/h5-14,16,20H,4,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054676 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCCN(C)Cc1ccccc1 |w:21.23,c:4,t:7| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-12-8-9-13-21(20)29(32)33)23(18(2)27-17)26(31)35-15-14-28(3)16-19-10-6-5-7-11-19/h5-13,24,31H,14-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054664 (2-Methyl-6-(4-nitro-phenyl)-4-((E)-styryl)-1,4-dih...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-14-20(15-13-19)28(31)32)23(26(30)34-5-2)21(22)16-11-18-9-7-6-8-10-18/h6-16,21,30H,4-5H2,1-3H3/b16-11+,26-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054681 (2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM67935 (2,6-dimethyl-4-[(E)-2-phenylethenyl]-1,4-dihydropy...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C21H25NO4/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)13-12-16-10-8-7-9-11-16/h7-13,17-18H,5-6H2,1-4H3/b13-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054672 (2-Furan-3-yl-6-methyl-4-((E)-styryl)-1,4-dihydro-p...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23| Show InChI InChI=1S/C24H25NO5/c1-4-29-23(26)20-16(3)25-22(18-13-14-28-15-18)21(24(27)30-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM85775 (CHEMBL315984 | MRS1097) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054685 (2-Methyl-4-[(E)-2-(2-nitro-phenyl)-vinyl]-6-phenyl...) Show SMILES CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24| Show InChI InChI=1S/C26H26N2O6/c1-4-33-25(29)22-17(3)27-24(19-12-7-6-8-13-19)23(26(30)34-5-2)20(22)16-15-18-11-9-10-14-21(18)28(31)32/h6-16,20,30H,4-5H2,1-3H3/b16-15+,26-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50052393 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50052380 (2,4-Dimethyl-6-phenyl-1,4-dihydro-pyridine-3,5-dic...) Show SMILES CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15| Show InChI InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-12,15H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054681 (2,4-Dimethyl-6-phenyl-pyridine-3,5-dicarboxylic ac...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C Show InChI InChI=1S/C19H21NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50052390 (4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C14H21NO4/c1-6-10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-7-2/h10-11H,6-7H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054667 (2-Methyl-4-((E)-styryl)-6-thiophen-3-yl-1,4-dihydr...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23| Show InChI InChI=1S/C24H25NO4S/c1-4-28-23(26)20-16(3)25-22(18-13-14-30-15-18)21(24(27)29-5-2)19(20)12-11-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50052390 (4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dica...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C14H21NO4/c1-6-10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-7-2/h10-11H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054665 (4-Ethyl-2-methyl-6-phenyl-1,4-dihydro-pyridine-3,5...) Show SMILES CCOC(=O)C1C(CC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16| Show InChI InChI=1S/C20H25NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12,15-16H,5-7H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50054683 (2-Methyl-4-((E)-styryl)-6-p-tolyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(C)cc1 |c:21,23| Show InChI InChI=1S/C27H29NO4/c1-5-31-26(29)23-19(4)28-25(21-15-12-18(3)13-16-21)24(27(30)32-6-2)22(23)17-14-20-10-8-7-9-11-20/h7-17,22-23H,5-6H2,1-4H3/b17-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM67935 (2,6-dimethyl-4-[(E)-2-phenylethenyl]-1,4-dihydropy...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C21H25NO4/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)13-12-16-10-8-7-9-11-16/h7-13,17-18H,5-6H2,1-4H3/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054686 (2-(4-Methoxy-phenyl)-6-methyl-4-((E)-styryl)-1,4-d...) Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23| Show InChI InChI=1S/C27H29NO5/c1-5-32-26(29)23-18(3)28-25(20-13-15-21(31-4)16-14-20)24(27(30)33-6-2)22(23)17-12-19-10-8-7-9-11-19/h7-17,22-23H,5-6H2,1-4H3/b17-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50052393 (2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxy...) Show SMILES COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C18H21NO4/c1-11-15(17(20)22-4)12(2)19-13(3)16(11)18(21)23-10-14-8-6-5-7-9-14/h5-9,11,15H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054684 (2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyri...) Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-15,21-22H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50054677 (2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...) Show SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1 Show InChI InChI=1S/C31H25NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18H,3,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
					More data for this Ligand-Target Pair

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