Compile Data Set for Download or QSAR

Found 361 hits with Last Name = 'smits' and Initial = 'g'   

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))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199270 (1,3-dipropyl-8-[2-(5,6-exo-epoxy-(1S,2S)-norborn-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 |THB:6:17:20:22.24,23:22:20:18.17,23:24:20:18.17| Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9?,10-,11-,13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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]CPX from rat brain cortex adenosine A1 receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					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 A1 (Rattus norvegicus (rat))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199269 (3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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]CPX from rat brain cortex adenosine A1 receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					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 A1 (Homo sapiens (Human))	BDBM50199303 (8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					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))	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-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))	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))	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))	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 A1 (Rattus norvegicus (rat))	BDBM50199290 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					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 A1 (Rattus norvegicus (rat))	BDBM50199276 (4-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H34N4O4/c1-3-14-26-18-17(19(30)27(15-4-2)21(26)31)24-20(25-18)23-11-8-22(9-12-23,10-13-23)7-5-6-16(28)29/h3-15H2,1-2H3,(H,24,25)(H,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]CPX from rat brain cortex adenosine A1 receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					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))	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))	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))	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 A1 (Rattus norvegicus (rat))	BDBM50199289 ((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199272 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C Show InChI InChI=1S/C24H38N6O3/c1-5-14-29-18-17(19(31)30(15-6-2)22(29)33)26-20(27-18)23-7-10-24(11-8-23,12-9-23)21(32)25-13-16-28(3)4/h5-16H2,1-4H3,(H,25,32)(H,26,27)/t23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163410 (CHEMBL173993 | N*5*-[(R)-1-(3-Chloro-2-fluoro-benz...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20ClFN8O/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	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
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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199293 (3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 [125I]ABA from human adenosine A1 receptor				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163425 (2-Furan-2-yl-N*5*-((R)-1-pyridin-3-ylmethyl-pyrrol...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H21N9O/c20-17-24-18(25-19-23-16(26-28(17)19)15-6-3-9-29-15)22-11-14-5-2-8-27(14)12-13-4-1-7-21-10-13/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H3,20,22,23,24,25,26)/t14-/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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199269 (3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199284 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O Show InChI InChI=1S/C20H28N4O4/c1-3-11-23-14-13(15(25)24(12-4-2)18(23)28)21-16(22-14)19-5-8-20(9-6-19,10-7-19)17(26)27/h3-12H2,1-2H3,(H,21,22)(H,26,27)/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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]CPX from rat brain cortex adenosine A1 receptor				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163396 (CHEMBL367593 | N*5*-[(R)-1-(3-Chloro-2-fluoro-6-tr...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H19ClF4N8O/c22-14-6-5-13(21(24,25)26)12(16(14)23)10-33-7-1-3-11(33)9-28-19-30-18(27)34-20(31-19)29-17(32-34)15-4-2-8-35-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,27,28,29,30,31,32)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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))	BDBM50163412 (2-Furan-2-yl-N*5*-[(R)-1-(2,4,5-trifluoro-benzyl)-...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19F3N8O/c21-13-8-15(23)14(22)7-11(13)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	8	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 A1 (Homo sapiens (Human))	BDBM50199280 (CHEMBL424908 | {[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC Show InChI InChI=1S/C23H33N5O5/c1-4-12-27-17-16(18(30)28(13-5-2)21(27)32)25-19(26-17)22-6-9-23(10-7-22,11-8-22)20(31)24-14-15(29)33-3/h4-14H2,1-3H3,(H,24,31)(H,25,26)/t22-,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199274 (3-noradamantyl-1,3-dipropylxanthine | CHEMBL385372) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CC3CC(CC3C1)C2 |THB:22:21:18:23.24,22:23:18:20.21.25,24:17:20:22.23,24:23:20:18.25.17| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-9-12-7-13(10-20)14(8-12)11-20/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199301 ((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...) Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	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]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199285 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)OC Show InChI InChI=1S/C21H30N4O4/c1-4-12-24-15-14(16(26)25(13-5-2)19(24)28)22-17(23-15)20-6-9-21(10-7-20,11-8-20)18(27)29-3/h4-13H2,1-3H3,(H,22,23)/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199268 ((E)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O Show InChI InChI=1S/C22H30N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h5-6H,3-4,7-14H2,1-2H3,(H,23,24)(H,27,28)/b6-5+/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.60	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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50199294 ((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...) Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2 Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151181 (2-Furan-2-yl-5-[4-(2,3,6-trifluoro-benzyl)-piperaz...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1 Show InChI InChI=1S/C19H17F3N8O/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	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 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 A1 (Rattus norvegicus (rat))	BDBM50199295 ((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...) Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	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]DPCPX from adenosine A1 receptor in rat cerebral cortex				J Med Chem 49: 7132-9 (2006) Article DOI: 10.1021/jm060539t BindingDB Entry DOI: 10.7270/Q28W3CZ9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50163403 (CHEMBL368070 | N*5*-[(R)-1-(2,4-Dichloro-benzyl)-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H20Cl2N8O/c21-13-6-5-12(15(22)9-13)11-29-7-1-3-14(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-4-2-8-31-16/h2,4-6,8-9,14H,1,3,7,10-11H2,(H3,23,24,25,26,27,28)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
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))	BDBM50152213 (2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...) Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1	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 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))	BDBM50163426 (CHEMBL177539 | N*5*-((R)-1-Benzofuran-2-ylmethyl-p...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c23-20-26-21(27-22-25-19(28-30(20)22)18-8-4-10-31-18)24-12-15-6-3-9-29(15)13-16-11-14-5-1-2-7-17(14)32-16/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H3,23,24,25,26,27,28)/t15-/m1/s1	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 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 A1 (Homo sapiens (Human))	BDBM50199270 (1,3-dipropyl-8-[2-(5,6-exo-epoxy-(1S,2S)-norborn-2...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 |THB:6:17:20:22.24,23:22:20:18.17,23:24:20:18.17| Show InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9?,10-,11-,13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199283 (4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C |wU:20.25,wD:17.18,(-.46,-24.38,;1.08,-24.38,;1.85,-25.71,;3.39,-25.71,;4.16,-24.38,;3.68,-22.92,;4.93,-22.01,;6.18,-22.92,;5.7,-24.38,;6.48,-25.71,;8.02,-25.7,;5.7,-27.05,;6.47,-28.38,;8.01,-28.38,;8.78,-27.05,;4.16,-27.05,;3.39,-28.38,;4.93,-20.47,;6.26,-19.71,;6.26,-18.17,;4.93,-17.39,;3.6,-18.17,;3.6,-19.71,;4.93,-15.85,;3.59,-15.08,;6.26,-15.08,;7.59,-15.85,;8.93,-15.08,;10.26,-15.85,;11.6,-15.08,;10.26,-17.39,)| Show InChI InChI=1S/C22H36N6O3/c1-5-12-27-19-17(21(30)28(13-6-2)22(27)31)24-18(25-19)15-7-9-16(10-8-15)20(29)23-11-14-26(3)4/h15-16H,5-14H2,1-4H3,(H,23,29)(H,24,25)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells				J Med Chem 49: 7119-31 (2006) Article DOI: 10.1021/jm0605381 BindingDB Entry DOI: 10.7270/Q2DN44QG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50151205 (5-[4-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-piper...) Show SMILES Cc1ccc2nc(Cl)c(CN3CCN(CC3)c3nc(N)n4nc(nc4n3)-c3ccco3)cc2c1 Show InChI InChI=1S/C23H22ClN9O/c1-14-4-5-17-15(11-14)12-16(19(24)26-17)13-31-6-8-32(9-7-31)22-28-21(25)33-23(29-22)27-20(30-33)18-3-2-10-34-18/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28,29,30)	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 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))	BDBM50163398 (CHEMBL175645 | N*5*-[(R)-1-(3-Chloro-benzyl)-pyrro...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H21ClN8O/c21-14-5-1-4-13(10-14)12-28-8-2-6-15(28)11-23-19-25-18(22)29-20(26-19)24-17(27-29)16-7-3-9-30-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2,(H3,22,23,24,25,26,27)/t15-/m1/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 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))	BDBM50163415 (2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...) Show SMILES CN(C[C@H]1CCCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C20H25N9O2/c1-13-10-14(26-31-13)11-28-8-4-3-6-15(28)12-27(2)19-23-18(21)29-20(24-19)22-17(25-29)16-7-5-9-30-16/h5,7,9-10,15H,3-4,6,8,11-12H2,1-2H3,(H2,21,22,23,24,25)/t15-/m1/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 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))	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 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

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