Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'reith' and Initial = 'u'   

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 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110977 (1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-4-13-34-27(36)24-26(31-28(34)37)30-25(29-24)19-9-11-20(12-10-19)39-18-23(35)33-16-14-32(15-17-33)21-7-5-6-8-22(21)38-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,30)(H,31,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110982 (2-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1 Show InChI InChI=1S/C18H21N5O5/c1-2-8-23-17(26)14-16(22-18(23)27)21-15(20-14)11-3-5-12(6-4-11)28-10-13(25)19-7-9-24/h3-6,24H,2,7-10H2,1H3,(H,19,25)(H,20,21)(H,22,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity towards rat Adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110992 (8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
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	PubMed	1.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity towards human Adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110975 (8-(4-Iodo-phenyl)-1,3-dipropyl-3,7-dihydro-purine-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C17H19IN4O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110975 (8-(4-Iodo-phenyl)-1,3-dipropyl-3,7-dihydro-purine-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C17H19IN4O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110971 (8-(4-Bromo-phenyl)-1-butyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110984 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C29H32N6O6/c1-2-3-13-35-27(37)24-26(32-28(35)38)31-25(30-24)21-9-11-22(12-10-21)40-19-23(36)33-14-16-34(17-15-33)29(39)41-18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,30,31)(H,32,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110979 (CHEMBL284288 | [4-(2,6-Dioxo-1-propyl-2,3,6,7-tetr...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)OC)cc1 Show InChI InChI=1S/C17H18N4O5/c1-3-8-21-16(23)13-15(20-17(21)24)19-14(18-13)10-4-6-11(7-5-10)26-9-12(22)25-2/h4-7H,3,8-9H2,1-2H3,(H,18,19)(H,20,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110969 (8-(4-Bromo-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H19BrN4O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110966 (8-(4-Bromo-phenyl)-1-propyl-3,7-dihydro-purine-2,6...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C14H13BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50018152 (8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50014295 (5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against human adenosine A2A receptor using [3H]-CGS-21,680 (95% confidence)				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110980 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 Show InChI InChI=1S/C25H25N5O6/c1-3-4-13-30-23(32)20-22(29-25(30)34)28-21(27-20)15-7-11-18(12-8-15)36-14-19(31)26-17-9-5-16(6-10-17)24(33)35-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110973 (1-Butyl-8-{4-[2-(4-ethyl-piperazin-1-yl)-2-oxo-eth...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1 Show InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110969 (8-(4-Bromo-phenyl)-1,3-dipropyl-3,7-dihydro-purine...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H19BrN4O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110991 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110983 (8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051653 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110978 (8-(4-Bromo-phenyl)-1-prop-2-ynyl-3,7-dihydro-purin...) Show SMILES Brc1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1 Show InChI InChI=1S/C14H9BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,16,17)(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50061927 (8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...) Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094591 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1 Show InChI InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor expressed in CHO cells using [3H]-CCPA				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110986 (CHEMBL288459 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C18H22N6O4/c1-2-9-24-17(26)14-16(23-18(24)27)22-15(21-14)11-3-5-12(6-4-11)28-10-13(25)20-8-7-19/h3-6H,2,7-10,19H2,1H3,(H,20,25)(H,21,22)(H,23,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110990 (CHEMBL37082 | [4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrah...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H18N4O5/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)10-4-6-11(7-5-10)26-9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110985 (1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CH...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-2-3-9-19-14(20)11-13(18-15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,16,17)(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084866 (8-[2-(3-Methoxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...) Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C19H18N4O3/c1-5-11-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)10-9-13-7-6-8-14(12-13)26-4/h1,6-10,12H,11H2,2-4H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084865 (8-[2-(3-Bromo-phenyl)-vinyl]-3-(3-hydroxy-propyl)-...) Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C20H19BrN4O3/c1-3-10-25-19(27)17-18(24(20(25)28)11-5-12-26)22-16(23(17)2)9-8-14-6-4-7-15(21)13-14/h1,4,6-9,13,26H,5,10-12H2,2H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110987 (6-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C19H16N4O4/c1-2-7-23-17(24)14-16(22-19(23)27)21-15(20-14)12-5-3-11-9-13(18(25)26)6-4-10(11)8-12/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,22,27)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110971 (8-(4-Bromo-phenyl)-1-butyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50110975 (8-(4-Iodo-phenyl)-1,3-dipropyl-3,7-dihydro-purine-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C17H19IN4O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50042211 (8-Cyclopentyl-1-propyl-3,7-dihydro-purine-2,6-dion...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-12(18)9-11(16-13(17)19)15-10(14-9)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110976 (3-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21| Show InChI InChI=1S/C17H16N4O4/c1-2-9-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-3-10(4-7-11)5-8-12(22)23/h3-8H,2,9H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50110989 (1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110979 (CHEMBL284288 | [4-(2,6-Dioxo-1-propyl-2,3,6,7-tetr...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)OC)cc1 Show InChI InChI=1S/C17H18N4O5/c1-3-8-21-16(23)13-15(20-17(21)24)19-14(18-13)10-4-6-11(7-5-10)26-9-12(22)25-2/h4-7H,3,8-9H2,1-2H3,(H,18,19)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110984 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C29H32N6O6/c1-2-3-13-35-27(37)24-26(32-28(35)38)31-25(30-24)21-9-11-22(12-10-21)40-19-23(36)33-14-16-34(17-15-33)29(39)41-18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,30,31)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50037440 ((E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50084860 (3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...) Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against human post-mortem brain adenosine A2A receptor using nuclei caudati and [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094599 (2-Furan-2-yl-5,6-dimethyl-7-(1-phenyl-ethyl)-7H-py...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1 Show InChI InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity towards rat Adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110989 (1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110973 (1-Butyl-8-{4-[2-(4-ethyl-piperazin-1-yl)-2-oxo-eth...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1 Show InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110966 (8-(4-Bromo-phenyl)-1-propyl-3,7-dihydro-purine-2,6...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C14H13BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50042205 (1-Ethyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CH...) Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-2-17-12(18)9-11(16-13(17)19)15-10(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094589 (5,6-Dimethyl-7-(1-phenyl-ethyl)-2-thiophen-2-yl-7H...) Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1 Show InChI InChI=1S/C20H20N4S/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]-CCPA as a radioligand				J Med Chem 43: 4636-46 (2001) BindingDB Entry DOI: 10.7270/Q2SB450S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110991 (4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50084862 (8-[2-(3-Hydroxy-phenyl)-vinyl]-3,7-dimethyl-1-prop...) Show SMILES Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12 Show InChI InChI=1S/C18H16N4O3/c1-4-10-22-17(24)15-16(21(3)18(22)25)19-14(20(15)2)9-8-12-6-5-7-13(23)11-12/h1,5-9,11,23H,10H2,2-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]-CGS-21,680				J Med Chem 43: 440-8 (2000) BindingDB Entry DOI: 10.7270/Q21C1W36
					More data for this Ligand-Target Pair

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