Compile Data Set for Download or QSAR

Found 513 hits with Last Name = 'engber' and Initial = 't'   

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 A2a (Rattus norvegicus (rat))	BDBM50156616 ((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H25FN8O2/c24-16-3-1-4-18(11-16)34-14-15-6-7-17-13-31(9-8-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-5-2-10-33-19/h1-5,10-11,15,17H,6-9,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156605 ((7RS,9aRS)-2-furan-2-yl-5-(7-imidazol-1-ylmethyloc...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3ccnc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C20H24N10O/c21-18-24-19(25-20-23-17(26-30(18)20)16-2-1-9-31-16)29-8-7-28-11-14(3-4-15(28)12-29)10-27-6-5-22-13-27/h1-2,5-6,9,13-15H,3-4,7-8,10-12H2,(H2,21,23,24,25,26)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156606 ((7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-3-yloxymethy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccnc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)18-4-2-10-32-18)30-9-8-29-12-15(5-6-16(29)13-30)14-33-17-3-1-7-24-11-17/h1-4,7,10-11,15-16H,5-6,8-9,12-14H2,(H2,23,25,26,27,28)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156595 ((7RS,9aRS)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahy...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C21H25N11O/c22-18-27-19(28-21-26-17(29-32(18)21)16-3-1-10-33-16)25-11-14-4-5-15-13-31(9-8-30(15)12-14)20-23-6-2-7-24-20/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H3,22,25,26,27,28,29)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156646 (2-(furan-2-yl)-5-((7S,9aS)-7-((quinolin-6-yloxy)me...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc4ncccc4c3)CC[C@H]2C1 |r| Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)22-4-2-12-36-22)34-11-10-33-14-17(5-6-19(33)15-34)16-37-20-7-8-21-18(13-20)3-1-9-28-21/h1-4,7-9,12-13,17,19H,5-6,10-11,14-16H2,(H2,27,29,30,31,32)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156638 ((7RS,9aRS)-5-[7-(2-fluoro-phenoxymethyl)-octahydro...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3F)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H25FN8O2/c24-17-4-1-2-5-18(17)34-14-15-7-8-16-13-31(10-9-30(16)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-6-3-11-33-19/h1-6,11,15-16H,7-10,12-14H2,(H2,25,26,27,28,29)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173176 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173189 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C20H20N6O2/c1-3-25(4-2)20(27)14-8-5-7-13(11-14)15-12-26-19(17(21)22-15)23-18(24-26)16-9-6-10-28-16/h5-12H,3-4H2,1-2H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173186 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50159713 (4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C19H16N6O2/c1-19(26,11-13-5-8-21-9-6-13)7-4-14-12-25-18(16(20)22-14)23-17(24-25)15-3-2-10-27-15/h2-3,5-6,8-10,12,26H,11H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 15: 511-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.062 BindingDB Entry DOI: 10.7270/Q2319VCK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156635 (5-((7S,9aS)-7-(aminomethyl)-hexahydro-1H-pyrido[1,...) Show SMILES NC[C@@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r| Show InChI InChI=1S/C17H23N9O/c18-8-11-3-4-12-10-25(6-5-24(12)9-11)16-21-15(19)26-17(22-16)20-14(23-26)13-2-1-7-27-13/h1-2,7,11-12H,3-6,8-10,18H2,(H2,19,20,21,22,23)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156650 (5-((7R,9aS)-7-((bis(pyridin-3-ylmethyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-6-3-13-41-25)39-12-11-38-19-23(7-8-24(38)20-39)18-37(16-21-4-1-9-31-14-21)17-22-5-2-10-32-15-22/h1-6,9-10,13-15,23-24H,7-8,11-12,16-20H2,(H2,30,33,34,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156660 (5-((7R,9aS)-7-((2,4-difluorobenzylamino)methyl)-he...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccc(F)cc3F)CC[C@H]2C1 |r| Show InChI InChI=1S/C24H27F2N9O/c25-17-5-4-16(19(26)10-17)12-28-11-15-3-6-18-14-34(8-7-33(18)13-15)23-30-22(27)35-24(31-23)29-21(32-35)20-2-1-9-36-20/h1-2,4-5,9-10,15,18,28H,3,6-8,11-14H2,(H2,27,29,30,31,32)/t15-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151189 (5-[4-(3,5-Dichloro-pyridin-4-ylmethyl)-piperazin-1...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cncc2Cl)CC1 Show InChI InChI=1S/C18H17Cl2N9O/c19-12-8-22-9-13(20)11(12)10-27-3-5-28(6-4-27)17-24-16(21)29-18(25-17)23-15(26-29)14-2-1-7-30-14/h1-2,7-9H,3-6,10H2,(H2,21,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173201 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N6O2/c18-14-16-21-15(13-7-4-8-25-13)22-23(16)10-12(20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,20)(H,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163407 (2-Furan-2-yl-N*5*-[(R)-1-(2,4,6-trifluoro-benzyl)-...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-11-7-14(22)13(15(23)8-11)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50159711 (1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]p...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCC1 Show InChI InChI=1S/C16H15N5O3/c17-13-15-19-14(11-3-1-8-24-11)20-21(15)9-10(18-13)4-5-12(22)16(23)6-2-7-16/h1,3,8-9,12,22-23H,2,6-7H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX as radioligand				Bioorg Med Chem Lett 15: 511-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.062 BindingDB Entry DOI: 10.7270/Q2319VCK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173179 (CHEMBL196104 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C25H22N8O2/c26-22-24-29-23(21-5-2-14-35-21)30-33(24)16-20(28-22)17-3-1-4-18(15-17)25(34)32-12-10-31(11-13-32)19-6-8-27-9-7-19/h1-9,14-16H,10-13H2,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151182 (2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156644 ((7RS,9aRS)-5-{7-[(bispyridin-4-ylmethylamino)-meth...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccncc3)Cc3ccncc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-2-1-15-41-25)39-14-13-38-19-23(3-4-24(38)20-39)18-37(16-21-5-9-31-10-6-21)17-22-7-11-32-12-8-22/h1-2,5-12,15,23-24H,3-4,13-14,16-20H2,(H2,30,33,34,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156662 ((6RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r| Show InChI InChI=1S/C17H22N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-5-2-8-27-13)23-6-7-24-11(9-23)3-1-4-12(24)10-26/h2,5,8,11-12,26H,1,3-4,6-7,9-10H2,(H2,18,19,20,21,22)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151182 (2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163432 (CHEMBL179478 | N*5*-[(R)-1-(5-Chloro-furan-2-ylmet...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151182 (2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1 Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156604 (CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50159712 (1-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CC(C)CCC(C)(O)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H21N5O2/c1-12(2)6-8-18(3,24)9-7-13-11-23-17(15(19)20-13)21-16(22-23)14-5-4-10-25-14/h4-5,10-12,24H,6,8H2,1-3H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 15: 511-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.062 BindingDB Entry DOI: 10.7270/Q2319VCK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156624 (5-((7S,9aS)-7-((bis(pyridin-3-ylmethyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-6-3-13-41-25)39-12-11-38-19-23(7-8-24(38)20-39)18-37(16-21-4-1-9-31-14-21)17-22-5-2-10-32-15-22/h1-6,9-10,13-15,23-24H,7-8,11-12,16-20H2,(H2,30,33,34,35,36)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156640 ((7RS,9aRS)-5-[7-(3-fluoro-phenoxymethyl)-octahydro...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H25FN8O2/c24-16-4-7-18(8-5-16)34-14-15-3-6-17-13-31(10-9-30(17)12-15)22-27-21(25)32-23(28-22)26-20(29-32)19-2-1-11-33-19/h1-2,4-5,7-8,11,15,17H,3,6,9-10,12-14H2,(H2,25,26,27,28,29)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156652 ((7RS,9aRS)-2-furan-2-yl-5-(7-[1,2,4]triazol-1-ylme...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cncn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C19H23N11O/c20-17-24-18(25-19-23-16(26-30(17)19)15-2-1-7-31-15)28-6-5-27-8-13(3-4-14(27)10-28)9-29-12-21-11-22-29/h1-2,7,11-14H,3-6,8-10H2,(H2,20,23,24,25,26)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152240 (CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...) Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C21H23F2N9O/c1-29(6-7-30-8-10-31(11-9-30)16-5-4-14(22)13-15(16)23)20-26-19(24)32-21(27-20)25-18(28-32)17-3-2-12-33-17/h2-5,12-13H,6-11H2,1H3,(H2,24,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152215 (7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163404 (CHEMBL177615 | N*5*-[(R)-1-(2-Chloro-3,6-difluoro-...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19ClF2N8O/c21-16-12(13(22)5-6-14(16)23)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152215 (7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163423 (2-Furan-2-yl-N*5*-[(R)-1-(2,3,6-trifluoro-benzyl)-...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-13-5-6-14(22)16(23)12(13)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156604 (CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163402 (CHEMBL176071 | N*5*-[(R)-1-(2-Fluoro-5-trifluorome...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H20F4N8O/c22-15-6-5-13(21(23,24)25)9-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50370922 (CHEMBL1237041) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r| Show InChI InChI=1S/C22H24N12O2/c23-20-28-21(29-22-27-18(31-34(20)22)16-2-1-7-35-16)33-6-5-32-9-13(3-4-14(32)10-33)11-36-19-15-8-26-30-17(15)24-12-25-19/h1-2,7-8,12-14H,3-6,9-11H2,(H,24,25,26,30)(H2,23,27,28,29,31)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151186 (5-[4-(6-Chloro-2,3-difluoro-benzyl)-piperazin-1-yl...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1 Show InChI InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163422 (CHEMBL368201 | N*5*-[(R)-1-(2-Fluoro-4-trifluorome...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H20F4N8O/c22-15-9-13(21(23,24)25)6-5-12(15)11-32-7-1-3-14(32)10-27-19-29-18(26)33-20(30-19)28-17(31-33)16-4-2-8-34-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,26,27,28,29,30,31)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163420 (CHEMBL177532 | N*5*-[(R)-1-(2,3-Difluoro-benzyl)-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20F2N8O/c21-14-6-1-4-12(16(14)22)11-29-8-2-5-13(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)15-7-3-9-31-15/h1,3-4,6-7,9,13H,2,5,8,10-11H2,(H3,23,24,25,26,27,28)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156633 ((7RS,9aRS)-2-furan-2-yl-5-[7-(isoquinolin-5-yloxym...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc4cnccc34)CC[C@H]2C1 |r| Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)22-5-2-12-36-22)34-11-10-33-14-17(6-7-19(33)15-34)16-37-21-4-1-3-18-13-28-9-8-20(18)21/h1-5,8-9,12-13,17,19H,6-7,10-11,14-16H2,(H2,27,29,30,31,32)/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152222 (CHEMBL360840 | N*5*-[(R)-1-(2-Fluoro-benzyl)-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21FN8O/c21-15-7-2-1-5-13(15)12-28-9-3-6-14(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-8-4-10-30-16/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2,(H3,22,23,24,25,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151171 (5-[4-(2-Chloro-quinolin-3-ylmethyl)-piperazin-1-yl...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1 Show InChI InChI=1S/C22H20ClN9O/c23-18-15(12-14-4-1-2-5-16(14)25-18)13-30-7-9-31(10-8-30)21-27-20(24)32-22(28-21)26-19(29-32)17-6-3-11-33-17/h1-6,11-12H,7-10,13H2,(H2,24,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50152233 (CHEMBL363660 | N*7*-{2-[4-(2,4-Difluoro-phenyl)-pi...) Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C22H24F2N8O/c1-29(6-7-30-8-10-31(11-9-30)17-5-4-15(23)13-16(17)24)19-14-20-26-21(18-3-2-12-33-18)28-32(20)22(25)27-19/h2-5,12-14H,6-11H2,1H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4835-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.048 BindingDB Entry DOI: 10.7270/Q27S7N8T
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156643 (2-(furan-2-yl)-5-((7R,9aS)-7-((quinolin-2-yloxy)me...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccc4ccccc4n3)CC[C@H]2C1 |r| Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)21-6-3-13-36-21)34-12-11-33-14-17(7-9-19(33)15-34)16-37-22-10-8-18-4-1-2-5-20(18)28-22/h1-6,8,10,13,17,19H,7,9,11-12,14-16H2,(H2,27,29,30,31,32)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163401 (CHEMBL369373 | N*5*-[(R)-1-(3-Chloro-1-methyl-1H-p...) Show SMILES Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1 Show InChI InChI=1S/C18H21ClN10O/c1-27-9-11(14(19)25-27)10-28-6-2-4-12(28)8-21-17-23-16(20)29-18(24-17)22-15(26-29)13-5-3-7-30-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H3,20,21,22,23,24,26)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair

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