Found 99 hits with Last Name = 'schwabe' and Initial = 'u' 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
(BOVINE) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062858
(8-Cyclopentyl-3-(2-fluoro-propyl)-1-propyl-3,7-dih...)Show InChI InChI=1S/C16H23FN4O2/c1-3-8-20-15(22)12-14(21(16(20)23)9-10(2)17)19-13(18-12)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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CHEMBL KEGG PC cid PC sid UniChem
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| Article PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062852
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062853
(8-Cyclopentyl-1-(3-fluoro-propyl)-3,7-dihydro-puri...)Show InChI InChI=1S/C13H17FN4O2/c14-6-3-7-18-12(19)9-11(17-13(18)20)16-10(15-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,17,20) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062856
(8-Cyclopentyl-3-((E)-3-iodo-propenyl)-1-propyl-3,7...)Show SMILES CCCn1c(=O)n(\C=C\CI)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C16H21IN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h5,10-11H,2-4,6-9H2,1H3,(H,18,19)/b10-5+ | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062859
(8-Cyclopentyl-1-ethoxymethyl-3-propyl-3,7-dihydro-...)Show InChI InChI=1S/C16H24N4O3/c1-3-9-19-14-12(15(21)20(16(19)22)10-23-4-2)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM82013
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50011842
(8-Cyclopentyl-3-methyl-1-propyl-3,7-dihydro-purine...)Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062855
(8-Cyclopentyl-3-ethoxymethyl-1-propyl-3,7-dihydro-...)Show InChI InChI=1S/C16H24N4O3/c1-3-9-19-15(21)12-14(20(16(19)22)10-23-4-2)18-13(17-12)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.493 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50011824
(8-Cyclopentyl-1-methyl-3-propyl-3,7-dihydro-purine...)Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.526 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
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
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| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut, Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)
Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062857
(8-Cyclopentyl-1-(2-fluoro-propyl)-3-propyl-3,7-dih...)Show InChI InChI=1S/C16H23FN4O2/c1-3-8-20-14-12(15(22)21(16(20)23)9-10(2)17)18-13(19-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut, Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)
Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM82010
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM82012
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
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| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM82015
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82013
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM82017
(8-(4-Acetoxyphenyl)theophylline)Show SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
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| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
Reactome pathway KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82012
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82015
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50062854
(8-Cyclopentyl-7-methyl-1-propyl-3,7-dihydro-purine...)Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-11(16-14(18)20)15-12(17(10)2)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,16,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forschungszentrum Jülich GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes |
J Med Chem 41: 555-63 (1998)
Article DOI: 10.1021/jm9705465 BindingDB Entry DOI: 10.7270/Q2RX9B60 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82017
(8-(4-Acetoxyphenyl)theophylline)Show SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
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| Article PubMed
| 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway KEGG
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CHEMBL KEGG PC cid PC sid UniChem
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| Article PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM81971
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
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| Article PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut, Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)
Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut, Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)
Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM15336
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) | PDB
Reactome pathway KEGG
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| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM15336
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) | PDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)
Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut, Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)
Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82066
(ddCHA)Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmakologisches Institut
Curated by PDSP Ki Database
| |
Eur J Pharmacol 156: 157-60 (1988)
Article DOI: 10.1016/0014-2999(88)90158-6 BindingDB Entry DOI: 10.7270/Q2V40SQP |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |