Found 56 hits with Last Name = 'pocar' and Initial = 'd' 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)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453787
(CHEMBL2113556)Show SMILES Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453793
(CHEMBL2113559)Show SMILES COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r| Show InChI InChI=1S/C20H23N7O6/c1-32-12-7-10(4-5-11(12)29)3-2-6-23-26-20-24-17(21)14-18(25-20)27(9-22-14)19-16(31)15(30)13(8-28)33-19/h2-7,9,13,15-16,19,28-31H,8H2,1H3,(H3,21,24,25,26)/b3-2+,23-6+/t13-,15-,16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50368489
(CHEMBL611571)Show SMILES Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5| Show InChI InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453790
(CHEMBL2113563)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h1-8,10,12,14-15,18,27-29H,9H2,(H3,20,23,24,25)/b7-4+,22-8+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453789
(CHEMBL2113564)Show SMILES Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N7O5/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-26-7)22(6-17-9)14-11(25)10(24)8(5-23)27-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453788
(CHEMBL2113558)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453792
(CHEMBL2113560)Show SMILES COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-6-4-11(5-7-12)3-2-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b3-2+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453796
(CHEMBL2113552)Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453791
(CHEMBL2113555)Show SMILES Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O5/c18-14-11-15(24(8-19-11)16-13(27)12(26)10(7-25)29-16)22-17(21-14)23-20-5-1-3-9-4-2-6-28-9/h1-6,8,10,12-13,16,25-27H,7H2,(H3,18,21,22,23)/b3-1+,20-5+/t10-,12-,13-,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453795
(CHEMBL2113553)Show SMILES CN(C)c1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C21H26N8O4/c1-28(2)13-7-5-12(6-8-13)4-3-9-24-27-21-25-18(22)15-19(26-21)29(11-23-15)20-17(32)16(31)14(10-30)33-20/h3-9,11,14,16-17,20,30-32H,10H2,1-2H3,(H3,22,25,26,27)/b4-3+,24-9+/t14-,16-,17-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453795
(CHEMBL2113553)Show SMILES CN(C)c1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C21H26N8O4/c1-28(2)13-7-5-12(6-8-13)4-3-9-24-27-21-25-18(22)15-19(26-21)29(11-23-15)20-17(32)16(31)14(10-30)33-20/h3-9,11,14,16-17,20,30-32H,10H2,1-2H3,(H3,22,25,26,27)/b4-3+,24-9+/t14-,16-,17-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453794
(CHEMBL2113554)Show SMILES COc1ccccc1\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-7-3-2-5-11(12)6-4-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b6-4+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 264 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453794
(CHEMBL2113554)Show SMILES COc1ccccc1\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-7-3-2-5-11(12)6-4-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b6-4+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 384 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453792
(CHEMBL2113560)Show SMILES COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-6-4-11(5-7-12)3-2-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b3-2+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 425 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453787
(CHEMBL2113556)Show SMILES Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453793
(CHEMBL2113559)Show SMILES COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r| Show InChI InChI=1S/C20H23N7O6/c1-32-12-7-10(4-5-11(12)29)3-2-6-23-26-20-24-17(21)14-18(25-20)27(9-22-14)19-16(31)15(30)13(8-28)33-19/h2-7,9,13,15-16,19,28-31H,8H2,1H3,(H3,21,24,25,26)/b3-2+,23-6+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| PubMed
| 545 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
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Similars
| PubMed
| 569 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453788
(CHEMBL2113558)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 935 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453796
(CHEMBL2113552)Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453790
(CHEMBL2113563)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h1-8,10,12,14-15,18,27-29H,9H2,(H3,20,23,24,25)/b7-4+,22-8+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453791
(CHEMBL2113555)Show SMILES Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O5/c18-14-11-15(24(8-19-11)16-13(27)12(26)10(7-25)29-16)22-17(21-14)23-20-5-1-3-9-4-2-6-28-9/h1-6,8,10,12-13,16,25-27H,7H2,(H3,18,21,22,23)/b3-1+,20-5+/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368489
(CHEMBL611571)Show SMILES Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5| Show InChI InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453789
(CHEMBL2113564)Show SMILES Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N7O5/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-26-7)22(6-17-9)14-11(25)10(24)8(5-23)27-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453787
(CHEMBL2113556)Show SMILES Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453788
(CHEMBL2113558)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453790
(CHEMBL2113563)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h1-8,10,12,14-15,18,27-29H,9H2,(H3,20,23,24,25)/b7-4+,22-8+/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453789
(CHEMBL2113564)Show SMILES Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N7O5/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-26-7)22(6-17-9)14-11(25)10(24)8(5-23)27-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368489
(CHEMBL611571)Show SMILES Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5| Show InChI InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453790
(CHEMBL2113563)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h1-8,10,12,14-15,18,27-29H,9H2,(H3,20,23,24,25)/b7-4+,22-8+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 269 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453789
(CHEMBL2113564)Show SMILES Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N7O5/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-26-7)22(6-17-9)14-11(25)10(24)8(5-23)27-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453793
(CHEMBL2113559)Show SMILES COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r| Show InChI InChI=1S/C20H23N7O6/c1-32-12-7-10(4-5-11(12)29)3-2-6-23-26-20-24-17(21)14-18(25-20)27(9-22-14)19-16(31)15(30)13(8-28)33-19/h2-7,9,13,15-16,19,28-31H,8H2,1H3,(H3,21,24,25,26)/b3-2+,23-6+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.89E+3 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453793
(CHEMBL2113559)Show SMILES COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r| Show InChI InChI=1S/C20H23N7O6/c1-32-12-7-10(4-5-11(12)29)3-2-6-23-26-20-24-17(21)14-18(25-20)27(9-22-14)19-16(31)15(30)13(8-28)33-19/h2-7,9,13,15-16,19,28-31H,8H2,1H3,(H3,21,24,25,26)/b3-2+,23-6+/t13-,15-,16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 281 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453787
(CHEMBL2113556)Show SMILES Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 482 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453791
(CHEMBL2113555)Show SMILES Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O5/c18-14-11-15(24(8-19-11)16-13(27)12(26)10(7-25)29-16)22-17(21-14)23-20-5-1-3-9-4-2-6-28-9/h1-6,8,10,12-13,16,25-27H,7H2,(H3,18,21,22,23)/b3-1+,20-5+/t10-,12-,13-,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453788
(CHEMBL2113558)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 638 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453792
(CHEMBL2113560)Show SMILES COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-6-4-11(5-7-12)3-2-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b3-2+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50368489
(CHEMBL611571)Show SMILES Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5| Show InChI InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 747 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453792
(CHEMBL2113560)Show SMILES COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-6-4-11(5-7-12)3-2-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b3-2+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 677 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
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| n/a | n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453791
(CHEMBL2113555)Show SMILES Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O5/c18-14-11-15(24(8-19-11)16-13(27)12(26)10(7-25)29-16)22-17(21-14)23-20-5-1-3-9-4-2-6-28-9/h1-6,8,10,12-13,16,25-27H,7H2,(H3,18,21,22,23)/b3-1+,20-5+/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453794
(CHEMBL2113554)Show SMILES COc1ccccc1\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-7-3-2-5-11(12)6-4-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b6-4+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Activitty at Adenosine A1 receptor of rat atria |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this Ligand-Target Pair | |