Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'van vlijmen' and Initial = 'h'   

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 (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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 A1 (Rattus norvegicus (rat))	BDBM82013 (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 33: 1708-13 (1990) BindingDB Entry DOI: 10.7270/Q2CZ3643
					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))	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))	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 A1 (Homo sapiens (Human))	BDBM50395549 (CHEMBL1487093) Show SMILES Nc1nc(nc(n1)-c1ccccc1O)-c1ccccc1 Show InChI InChI=1S/C15H12N4O/c16-15-18-13(10-6-2-1-3-7-10)17-14(19-15)11-8-4-5-9-12(11)20/h1-9,20H,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by scintillation counting				J Med Chem 55: 7010-20 (2012) Article DOI: 10.1021/jm3003069 BindingDB Entry DOI: 10.7270/Q2P55PMS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 33: 1708-13 (1990) BindingDB Entry DOI: 10.7270/Q2CZ3643
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156618 ((7RS,9aRS)-2-furan-2-yl-5-[7-(pyrimidin-2-ylaminom...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C21H25N11O/c22-18-27-20(28-21-26-17(29-32(18)21)16-3-1-10-33-16)31-9-8-30-12-14(4-5-15(30)13-31)11-25-19-23-6-2-7-24-19/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H,23,24,25)(H2,22,26,27,28,29)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50156667 (5-((7R,9aS)-7-((bis(pyridin-2-ylmethyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccccn3)Cc3ccccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-8-5-15-41-25)39-14-13-38-17-21(9-10-24(38)20-39)16-37(18-22-6-1-3-11-31-22)19-23-7-2-4-12-32-23/h1-8,11-12,15,21,24H,9-10,13-14,16-20H2,(H2,30,33,34,35,36)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50156621 ((+/-)-2-furan-2-yl-5-(octahydropyrido[1,2-a]pyrazi...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1 Show InChI InChI=1S/C16H20N8O/c17-14-19-15(23-8-7-22-6-2-1-4-11(22)10-23)20-16-18-13(21-24(14)16)12-5-3-9-25-12/h3,5,9,11H,1-2,4,6-8,10H2,(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50156599 ((6RS,9aRS)-2-furan-2-yl-5-(6-phenoxymethyl-octahyd...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccccc3)CCC[C@H]2C1 |r| Show InChI InChI=1S/C23H26N8O2/c24-21-26-22(27-23-25-20(28-31(21)23)19-10-5-13-32-19)29-11-12-30-16(14-29)6-4-7-17(30)15-33-18-8-2-1-3-9-18/h1-3,5,8-10,13,16-17H,4,6-7,11-12,14-15H2,(H2,24,25,26,27,28)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50156659 ((7RS,9aRS)-2-furan-2-yl-5-(7-tetrazol-1-ylmethyl-o...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cnnn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C18H22N12O/c19-16-22-17(23-18-21-15(24-30(16)18)14-2-1-7-31-14)28-6-5-27-8-12(3-4-13(27)10-28)9-29-11-20-25-26-29/h1-2,7,11-13H,3-6,8-10H2,(H2,19,21,22,23,24)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50151188 (5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50156612 ((7RS,9aRS)-5-(7-aminomethyloctahydropyrido[1,2-a]-...) 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+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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))	BDBM50156610 ((7RS,9aRS)-2-furan-2-yl-5-[7-(quinazolin-2-yloxyme...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r| Show InChI InChI=1S/C25H26N10O2/c26-23-30-24(31-25-29-21(32-35(23)25)20-6-3-11-36-20)34-10-9-33-12-16(7-8-17(33)13-34)14-37-22-18-4-1-2-5-19(18)27-15-28-22/h1-6,11,15-17H,7-10,12-14H2,(H2,26,29,30,31,32)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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))	BDBM50156627 ((7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-2-yloxymethy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-4-3-11-32-17)30-10-9-29-12-15(6-7-16(29)13-30)14-33-18-5-1-2-8-24-18/h1-5,8,11,15-16H,6-7,9-10,12-14H2,(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	20	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 A1 (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 33: 1708-13 (1990) BindingDB Entry DOI: 10.7270/Q2CZ3643
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156666 ((7RS,9aRS)-2-furan-2-yl-5-[7-(quinolin-6-yloxymeth...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H26N8O2/c24-21-26-22(27-23-25-20(28-31(21)23)19-7-4-12-32-19)30-11-10-29-13-16(8-9-17(29)14-30)15-33-18-5-2-1-3-6-18/h1-7,12,16-17H,8-11,13-15H2,(H2,24,25,26,27,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50156609 ((7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-4-yloxymethy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccncc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)18-2-1-11-32-18)30-10-9-29-12-15(3-4-16(29)13-30)14-33-17-5-7-24-8-6-17/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2,(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	25	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))	BDBM50156647 (5-((7R,9aS)-7-(((5-chloro-1,3-dimethyl-1H-pyrazol-...) Show SMILES Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r| Show InChI InChI=1S/C23H30ClN11O/c1-14-17(19(24)32(2)30-14)11-26-10-15-5-6-16-13-34(8-7-33(16)12-15)22-28-21(25)35-23(29-22)27-20(31-35)18-4-3-9-36-18/h3-4,9,15-16,26H,5-8,10-13H2,1-2H3,(H2,25,27,28,29,31)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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))	BDBM50156625 ((7RS,9aRS)-3-amino-5-{7-[(7-amino-2-furan-2-yl[1,2...) Show SMILES COC(=O)c1nc(Cl)c(nc1N)N1CCN2C[C@H](CNc3nc(N)n4nc(nc4n3)-c3ccco3)CC[C@@H]2C1 |r| Show InChI InChI=1S/C23H27ClN12O3/c1-38-20(37)15-17(25)29-19(16(24)28-15)35-7-6-34-10-12(4-5-13(34)11-35)9-27-22-31-21(26)36-23(32-22)30-18(33-36)14-3-2-8-39-14/h2-3,8,12-13H,4-7,9-11H2,1H3,(H2,25,29)(H3,26,27,30,31,32,33)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	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))	BDBM50156608 ((7RS,9aRS)-2-furan-2-yl-5-[7-(4-methoxy-phenoxymet...) Show SMILES COc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r| Show InChI InChI=1S/C24H28N8O3/c1-33-18-6-8-19(9-7-18)35-15-16-4-5-17-14-31(11-10-30(17)13-16)23-27-22(25)32-24(28-23)26-21(29-32)20-3-2-12-34-20/h2-3,6-9,12,16-17H,4-5,10-11,13-15H2,1H3,(H2,25,26,27,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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))	BDBM50156668 ((7RS,9aRS)-2-furan-2-yl-5-[7-(isoquinolin-3-yloxym...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C26H27N9O2/c27-24-30-25(31-26-29-23(32-35(24)26)21-6-3-11-36-21)34-10-9-33-14-17(7-8-20(33)15-34)16-37-22-12-18-4-1-2-5-19(18)13-28-22/h1-6,11-13,17,20H,7-10,14-16H2,(H2,27,29,30,31,32)/t17-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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))	BDBM50156658 ((7RS,9aRS)-2-furan-2-yl-5-(7-{[(pyridin-4-ylmethyl...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccncc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H28N10O/c24-21-28-22(29-23-27-20(30-33(21)23)19-2-1-11-34-19)32-10-9-31-14-17(3-4-18(31)15-32)13-26-12-16-5-7-25-8-6-16/h1-2,5-8,11,17-18,26H,3-4,9-10,12-15H2,(H2,24,27,28,29,30)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	37	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))	BDBM50156629 ((7RS,9aSR)-2-furan-2-yl-5-[7-(quinazolin-2-yloxyme...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r| Show InChI InChI=1S/C25H26N10O2/c26-23-30-24(31-25-29-21(32-35(23)25)20-6-3-11-36-20)34-10-9-33-12-16(7-8-17(33)13-34)14-37-22-18-4-1-2-5-19(18)27-15-28-22/h1-6,11,15-17H,7-10,12-14H2,(H2,26,29,30,31,32)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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))	BDBM50156620 ((+/-)-2-furan-2-yl-5-(octahydro-pyrido[1,2-a]pyraz...) Show SMILES Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1 Show InChI InChI=1S/C17H21N7O/c18-14-10-15(23-8-7-22-6-2-1-4-12(22)11-23)19-17-20-16(21-24(14)17)13-5-3-9-25-13/h3,5,9-10,12H,1-2,4,6-8,11,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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))	BDBM50156661 ((7RS,9aSR)-2-furan-2-yl-5-[7-(pyridin-2-yloxymethy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C22H25N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-4-3-11-32-17)30-10-9-29-12-15(6-7-16(29)13-30)14-33-18-5-1-2-8-24-18/h1-5,8,11,15-16H,6-7,9-10,12-14H2,(H2,23,25,26,27,28)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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))	BDBM50395549 (CHEMBL1487093) Show SMILES Nc1nc(nc(n1)-c1ccccc1O)-c1ccccc1 Show InChI InChI=1S/C15H12N4O/c16-15-18-13(10-6-2-1-3-7-10)17-14(19-15)11-8-4-5-9-12(11)20/h1-9,20H,(H2,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK 293 cells after 2 hrs by scintillation counting				J Med Chem 55: 7010-20 (2012) Article DOI: 10.1021/jm3003069 BindingDB Entry DOI: 10.7270/Q2P55PMS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50156611 ((7RS,9aRS)-[2-(7-amino-2-furan-2-yl[1,2,4]triazolo...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r| Show InChI InChI=1S/C17H22N8O2/c18-15-20-16(21-17-19-14(22-25(15)17)13-2-1-7-27-13)24-6-5-23-8-11(10-26)3-4-12(23)9-24/h1-2,7,11-12,26H,3-6,8-10H2,(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	45	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))	BDBM50156649 (2-(furan-2-yl)-5-((7S,9aS)-7-((pyrimidin-2-ylamino...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CNc3ncccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C21H25N11O/c22-18-27-20(28-21-26-17(29-32(18)21)16-3-1-10-33-16)31-9-8-30-12-14(4-5-15(30)13-31)11-25-19-23-6-2-7-24-19/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H,23,24,25)(H2,22,26,27,28,29)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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))	BDBM50156663 ((7RS,9aRS)-2-furan-2-yl-5-(7-phenoxymethyl-octahyd...) Show SMILES Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C24H27N7O2/c25-21-13-22(26-24-27-23(28-31(21)24)20-7-4-12-32-20)30-11-10-29-14-17(8-9-18(29)15-30)16-33-19-5-2-1-3-6-19/h1-7,12-13,17-18H,8-11,14-16,25H2/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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))	BDBM50156626 ((R)-2-furan-2-yl-5-(hexahydro-pyrrolo[1,2-a]pyrazi...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r| Show InChI InChI=1S/C15H18N8O/c16-13-18-14(22-7-6-21-5-1-3-10(21)9-22)19-15-17-12(20-23(13)15)11-4-2-8-24-11/h2,4,8,10H,1,3,5-7,9H2,(H2,16,17,18,19,20)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	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))	BDBM50156623 (5-((7R,9aS)-7-((bis(furan-2-ylmethyl)amino)methyl)...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccco3)Cc3ccco3)CC[C@H]2C1 |r| Show InChI InChI=1S/C27H31N9O3/c28-25-30-26(31-27-29-24(32-36(25)27)23-6-3-13-39-23)35-10-9-34-15-19(7-8-20(34)16-35)14-33(17-21-4-1-11-37-21)18-22-5-2-12-38-22/h1-6,11-13,19-20H,7-10,14-18H2,(H2,28,29,30,31,32)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM50156622 (2-(furan-2-yl)-7-((7R,9aS)-7-((pyrimidin-2-ylamino...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C22H26N10O/c23-21-28-18(11-19-27-20(29-32(19)21)17-3-1-10-33-17)31-9-8-30-13-15(4-5-16(30)14-31)12-26-22-24-6-2-7-25-22/h1-3,6-7,10-11,15-16H,4-5,8-9,12-14H2,(H2,23,28)(H,24,25,26)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM50156617 ((7RS,9aRS)-N5-[2-(3,5-difluorophenyl)octahydropyri...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C23H25F2N9O/c24-15-8-16(25)10-18(9-15)33-6-5-32-12-14(3-4-17(32)13-33)11-27-22-29-21(26)34-23(30-22)28-20(31-34)19-2-1-7-35-19/h1-2,7-10,14,17H,3-6,11-13H2,(H3,26,27,28,29,30,31)/t14-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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

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