Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'lourens' and Initial = 'ac'   

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))	BDBM50140279 (CHEMBL3754252) Show SMILES CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140285 (CHEMBL3752439) Show SMILES CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O2/c1-3-25(4-2)21(26)27-17-12-8-11-16(13-17)19-14-18(23-20(22)24-19)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140307 (CHEMBL3754358) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c22-20-23-18(15-7-2-1-3-8-15)14-19(24-20)16-9-6-10-17(13-16)27-21(26)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.835	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140277 (CHEMBL3752923) Show SMILES CN(C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H20N4O2/c1-28(19-12-6-3-7-13-19)24(29)30-20-14-8-11-18(15-20)22-16-21(26-23(25)27-22)17-9-4-2-5-10-17/h2-16H,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140314 (CHEMBL3753390) Show SMILES CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)22(28)29-18-9-5-8-17(14-18)20-15-19(24-21(23)25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140314 (CHEMBL3753390) Show SMILES CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)22(28)29-18-9-5-8-17(14-18)20-15-19(24-21(23)25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140342 (CHEMBL3753339) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O2/c23-21-24-19(16-8-3-1-4-9-16)15-20(25-21)17-10-7-11-18(14-17)28-22(27)26-12-5-2-6-13-26/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membrane				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140286 (CHEMBL3751996) Show SMILES CN(C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-23(2)19(24)25-15-10-6-9-14(11-15)17-12-16(21-18(20)22-17)13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140312 (CHEMBL3754167) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					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	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140312 (CHEMBL3754167) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c22-20-23-18(15-5-2-1-3-6-15)14-19(24-20)16-7-4-8-17(13-16)28-21(26)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499055 (CHEMBL3735985) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140342 (CHEMBL3753339) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O2/c23-21-24-19(16-8-3-1-4-9-16)15-20(25-21)17-10-7-11-18(14-17)28-22(27)26-12-5-2-6-13-26/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499055 (CHEMBL3735985) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50140343 (CHEMBL3754574) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C29H22N4O2/c30-28-31-26(21-11-4-1-5-12-21)20-27(32-28)22-13-10-18-25(19-22)35-29(34)33(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-20H,(H2,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499051 (CHEMBL3736368) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H22N4O4/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-12-7-9-13(26-3)14(11-12)27-4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110150 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- m...) Show SMILES CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140279 (CHEMBL3754252) Show SMILES CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499053 (CHEMBL3736116) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-19(28-14)18-13-17(23-21(22)24-18)15-4-3-5-16(12-15)20(27)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110148 ((E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine...) Show SMILES CCn1c2nc(\C=C\c3cccc(Br)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499052 (CHEMBL3735374) Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)15-10-14(19-16(18)20-15)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140285 (CHEMBL3752439) Show SMILES CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O2/c1-3-25(4-2)21(26)27-17-12-8-11-16(13-17)19-14-18(23-20(22)24-19)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110145 ((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...) Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140307 (CHEMBL3754358) Show SMILES Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c22-20-23-18(15-7-2-1-3-8-15)14-19(24-20)16-9-6-10-17(13-16)27-21(26)25-11-4-5-12-25/h1-3,6-10,13-14H,4-5,11-12H2,(H2,22,23,24)	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
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110137 ((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c)) Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110149 ((E)-8-(4-Bromostyryl)-1,3-diethyl-7-methylxanthine...) Show SMILES CCn1c2nc(\C=C\c3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499061 (CHEMBL3735683) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499057 (CHEMBL3735679) Show SMILES CCN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110141 ((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...) Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499060 (CHEMBL3735439) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C20H20N4O2/c1-13-7-8-18(26-13)17-12-16(22-20(21)23-17)14-5-4-6-15(11-14)19(25)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499057 (CHEMBL3735679) Show SMILES CCN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499063 (CHEMBL3734972) Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccco1 Show InChI InChI=1S/C14H10ClN3O/c15-10-4-1-3-9(7-10)11-8-12(18-14(16)17-11)13-5-2-6-19-13/h1-8H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140277 (CHEMBL3752923) Show SMILES CN(C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H20N4O2/c1-28(19-12-6-3-7-13-19)24(29)30-20-14-8-11-18(15-20)22-16-21(26-23(25)27-22)17-9-4-2-5-10-17/h2-16H,1H3,(H2,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110136 ((E)-8-(3,4-Dichlorostyryl)caffeine (4b)) Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H14Cl2N4O2/c1-20-12(7-5-9-4-6-10(17)11(18)8-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50140286 (CHEMBL3751996) Show SMILES CN(C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C19H18N4O2/c1-23(2)19(24)25-15-10-6-9-14(11-15)17-12-16(21-18(20)22-17)13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 26: 734-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.004 BindingDB Entry DOI: 10.7270/Q2SX6G21
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499061 (CHEMBL3735683) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50499060 (CHEMBL3735439) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C20H20N4O2/c1-13-7-8-18(26-13)17-12-16(22-20(21)23-17)14-5-4-6-15(11-14)19(25)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110142 ((E)-8-(3-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...) Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17BrN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	58.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499059 (CHEMBL3736461) Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110155 ((E)-8-(4-Bromostyryl)-1,3,7-triethylxanthine (7e)) Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21BrN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110144 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3-dimethyl-7-e...) Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H17F3N4O2/c1-4-25-13(9-8-11-6-5-7-12(10-11)18(19,20)21)22-15-14(25)16(26)24(3)17(27)23(15)2/h5-10H,4H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110140 ((E)-8-(4-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...) Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50047157 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...) Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110138 ((E)-8-(4-Bromostyryl)-1,3,7-trimethylxanthine (4d)) Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499054 (CHEMBL3736199) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50499053 (CHEMBL3736116) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-19(28-14)18-13-17(23-21(22)24-18)15-4-3-5-16(12-15)20(27)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis				Eur J Med Chem 104: 177-88 (2015) Article DOI: 10.1016/j.ejmech.2015.09.035 BindingDB Entry DOI: 10.7270/Q20K2CKD
					More data for this Ligand-Target Pair

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