Found 56 hits Enz. Inhib. hit(s) with all data for entry = 4781 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) | BDBM82013
![PNG](/data/jpeg/tenK8/BindingDB_82013.png) (8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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
(BOVINE) | BDBM82010
![PNG](/data/jpeg/tenK8/BindingDB_82010.png) (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
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK8/BindingDB_82012.png) (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
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Patents
Similars
| 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
![PNG](/data/jpeg/tenK8/BindingDB_81971.png) (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
UniProtKB/SwissProt
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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
(BOVINE) | BDBM82015
![PNG](/data/jpeg/tenK8/BindingDB_82015.png) (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
![PNG](/data/jpeg/tenK8/BindingDB_82013.png) (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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Patents
Similars
| 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
![PNG](/data/jpeg/tenK8/BindingDB_82017.png) (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
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Similars
| 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)) | BDBM82012
![PNG](/data/jpeg/tenK8/BindingDB_82012.png) (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
UniProtKB/SwissProt
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Patents
Similars
| 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
![PNG](/data/jpeg/tenK8/BindingDB_81971.png) (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
UniProtKB/SwissProt
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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)) | BDBM82015
![PNG](/data/jpeg/tenK8/BindingDB_82015.png) (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
| 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
(Rattus norvegicus (rat)) | BDBM82017
![PNG](/data/jpeg/tenK8/BindingDB_82017.png) (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
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Similars
| 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 A1
(BOVINE) | BDBM15336
![PNG](/data/jpeg/tenK1/BindingDB_15336.png) (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
UniProtKB/SwissProt
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Patents
Similars
| 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
![PNG](/data/jpeg/tenK1/BindingDB_15336.png) (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
UniProtKB/SwissProt
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| 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
![PNG](/data/jpeg/tenK1/BindingDB_10847.png) (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
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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 | |
Adenosine receptor A1
(BOVINE) | BDBM10850
![PNG](/data/jpeg/tenK1/BindingDB_10850.png) (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| >1.00E+4 | 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) | BDBM82011
![PNG](/data/jpeg/tenK8/BindingDB_82011.png) (CAS_66120 | NSC_66120 | Protheobromine)Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM50028190
![PNG](/data/jpeg/tenK5002/BindingDB_50028190.png) (7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-puri...)Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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) | BDBM50028190
![PNG](/data/jpeg/tenK5002/BindingDB_50028190.png) (7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-puri...)Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM10847
![PNG](/data/jpeg/tenK1/BindingDB_10847.png) (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
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Patents
Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM82009
![PNG](/data/jpeg/tenK8/BindingDB_82009.png) (CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| >1.00E+4 | 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) | BDBM82009
![PNG](/data/jpeg/tenK8/BindingDB_82009.png) (CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM82010
![PNG](/data/jpeg/tenK8/BindingDB_82010.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM50014260
![PNG](/data/jpeg/tenK5001/BindingDB_50014260.png) (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| >1.00E+4 | 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)) | BDBM82017
![PNG](/data/jpeg/tenK8/BindingDB_82017.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM82015
![PNG](/data/jpeg/tenK8/BindingDB_82015.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| >1.00E+4 | 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)) | BDBM10849
![PNG](/data/jpeg/tenK1/BindingDB_10849.png) (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| >1.00E+4 | 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 | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM82016
![PNG](/data/jpeg/tenK8/BindingDB_82016.png) (CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| >1.00E+4 | 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)) | BDBM81971
![PNG](/data/jpeg/tenK8/BindingDB_81971.png) (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
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| >1.00E+4 | 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)) | BDBM50001493
![PNG](/data/jpeg/tenK5000/BindingDB_50001493.png) (3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| >1.00E+4 | 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)) | BDBM82014
![PNG](/data/jpeg/tenK8/BindingDB_82014.png) (CAS_314-35-2 | Etamiphylline | NSC_28329)Show InChI InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM82018
![PNG](/data/jpeg/tenK8/BindingDB_82018.png) (CAS_790 | CHEMBL1427 | Hypoxanthine | NSC_790)Show InChI InChI=1S/C5H2N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | 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)) | BDBM15336
![PNG](/data/jpeg/tenK1/BindingDB_15336.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM82013
![PNG](/data/jpeg/tenK8/BindingDB_82013.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM50042210
![PNG](/data/jpeg/tenK5004/BindingDB_50042210.png) (1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 1,7...)Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM10850
![PNG](/data/jpeg/tenK1/BindingDB_10850.png) (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| >1.00E+4 | 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)) | BDBM50028190
![PNG](/data/jpeg/tenK5002/BindingDB_50028190.png) (7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-puri...)Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM10847
![PNG](/data/jpeg/tenK1/BindingDB_10847.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| >1.00E+4 | 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 | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM82009
![PNG](/data/jpeg/tenK8/BindingDB_82009.png) (CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM82011
![PNG](/data/jpeg/tenK8/BindingDB_82011.png) (CAS_66120 | NSC_66120 | Protheobromine)Show InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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)) | BDBM82012
![PNG](/data/jpeg/tenK8/BindingDB_82012.png) (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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| >1.00E+4 | 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)) | BDBM50025585
![PNG](/data/jpeg/tenK5002/BindingDB_50025585.png) (7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purin...)Show InChI InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | 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)) | BDBM10850
![PNG](/data/jpeg/tenK1/BindingDB_10850.png) (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | 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) | BDBM50025585
![PNG](/data/jpeg/tenK5002/BindingDB_50025585.png) (7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purin...)Show InChI InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | 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)) | BDBM50025585
![PNG](/data/jpeg/tenK5002/BindingDB_50025585.png) (7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purin...)Show InChI InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | 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) | BDBM82014
![PNG](/data/jpeg/tenK8/BindingDB_82014.png) (CAS_314-35-2 | Etamiphylline | NSC_28329)Show InChI InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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) | BDBM50001493
![PNG](/data/jpeg/tenK5000/BindingDB_50001493.png) (3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM50001493
![PNG](/data/jpeg/tenK5000/BindingDB_50001493.png) (3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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) | BDBM82016
![PNG](/data/jpeg/tenK8/BindingDB_82016.png) (CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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)) | BDBM82016
![PNG](/data/jpeg/tenK8/BindingDB_82016.png) (CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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) | BDBM10849
![PNG](/data/jpeg/tenK1/BindingDB_10849.png) (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | 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 | |