Found 47 hits of ki for UniProtKB: P25099 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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)/t11-,13-,15-,16-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50016450
(CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...)Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H30N6O4/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/h5-8,18,24-25H,3-4,9-13,22H2,1-2H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | PDB
MMDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine in rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009552
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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)/t11-,13-,15-,16-,19-/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009552
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine in rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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)/t11-,13-,15-,16-,19-/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50016451
(CHEMBL37306 | N-[2-(2-Amino-acetylamino)-ethyl]-2-...)Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)CN)cc1 Show InChI InChI=1S/C23H33N7O5/c1-3-11-29-21-19(22(33)30(12-4-2)23(29)34)27-20(28-21)15-5-7-16(8-6-15)35-14-18(32)26-10-9-25-17(31)13-24/h5-8,20,27-28H,3-4,9-14,24H2,1-2H3,(H,25,31)(H,26,32) | PDB
MMDB
NCI pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50226936
(CHEMBL37351)Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(N)=O)cc1 |c:5| Show InChI InChI=1S/C25H36N8O6/c1-3-11-32-22-20(24(37)33(12-4-2)25(32)38)30-21(31-22)15-5-7-16(8-6-15)39-14-19(35)28-9-10-29-23(36)17(26)13-18(27)34/h5-8,17,20,22H,3-4,9-14,26H2,1-2H3,(H2,27,34)(H,28,35)(H,29,36)(H,30,31) | PDB
MMDB
NCI pathway
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KEGG
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PC cid
PC sid
UniChem
Similars
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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)/t11-,13-,15-,16-,19-/m1/s1 | PDB
MMDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50389797
(CHEMBL261482)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1 | PDB
MMDB
NCI pathway
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009552
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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CHEMBL
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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CHEMBL
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PC sid
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | PDB
MMDB
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KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50080398
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 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)/t11-,13+,15+,16+,19+/m0/s1 | PDB
MMDB
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CHEMBL
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50367589
(CHEMBL3144091 | CHEMBL611126)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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UniChem
Similars
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50367270
(CHEMBL606297)Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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)/t11-,13-,15-,16-,19-/m1/s1 | PDB
MMDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50226935
(CHEMBL3143947)Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C45H57N11O9/c1-3-21-55-40-38(44(63)56(22-4-2)45(55)64)53-39(54-40)30-15-17-31(18-16-30)65-27-37(59)48-19-20-49-41(60)32(46)25-36(58)51-34(24-29-13-9-6-10-14-29)43(62)52-33(42(61)50-26-35(47)57)23-28-11-7-5-8-12-28/h5-18,32-34,38,40H,3-4,19-27,46H2,1-2H3,(H2,47,57)(H,48,59)(H,49,60)(H,50,61)(H,51,58)(H,52,62)(H,53,54)/t32?,33-,34-,38?,40?/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50226934
(CHEMBL3143946)Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C56H77N13O11S/c1-6-25-68-50-47(55(78)69(26-7-2)56(68)79)66-49(67-50)37-18-20-38(21-19-37)80-33-46(72)59-23-24-60-51(74)39(57)31-44(70)62-43(30-36-16-12-9-13-17-36)54(77)65-42(29-35-14-10-8-11-15-35)52(75)61-32-45(71)63-41(28-34(3)4)53(76)64-40(48(58)73)22-27-81-5/h8-21,34,39-43,47,50H,6-7,22-33,57H2,1-5H3,(H2,58,73)(H,59,72)(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,76)(H,65,77)(H,66,67)/t39?,40-,41-,42-,43-,47?,50?/m0/s1 | PDB
MMDB
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KEGG
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50080398
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 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)/t11-,13+,15+,16+,19+/m0/s1 | PDB
MMDB
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KEGG
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50080398
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 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)/t11-,13+,15+,16+,19+/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50080398
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 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)/t11-,13+,15+,16+,19+/m0/s1 | PDB
MMDB
NCI pathway
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50367267
(CHEMBL605246)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(O)=O)cc3)ncnc12 |r| Show InChI InChI=1S/C18H19N5O6/c24-6-11-14(27)15(28)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-10-3-1-9(2-4-10)5-12(25)26/h1-4,7-8,11,14-15,18,24,27-28H,5-6H2,(H,25,26)(H,19,20,22)/t11-,14-,15-,18?/m1/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50080398
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 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)/t11-,13+,15+,16+,19+/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | PDB
MMDB
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MCE
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| 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
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KEGG
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of rN6-cyclohexyl-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
NCI pathway
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KEGG
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
NCI pathway
Reactome pathway
KEGG
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
NCI pathway
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KEGG
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Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM10849
(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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| Purchase
CHEMBL
DrugBank
KEGG
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PC cid
PC sid
PDB
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Similars
| PDB
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of 2-chloro-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A1/A2a/A2b/A3
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM10849
(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
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50016443
(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...)Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24+,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50016445
(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...)Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
DrugBank
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes |
J Med Chem 30: 1529-32 (1987)
BindingDB Entry DOI: 10.7270/Q24M954B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM10849
(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
DrugBank
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AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
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PC cid
PC sid
PDB
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Patents
Similars
| PDB
PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat brain |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM10849
(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
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1/A2a/A2b/A3
(Rattus norvegicus (rat)) | BDBM10849
(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
DrugBank
GoogleScholar
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| Purchase
CHEMBL
DrugBank
KEGG
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PC cid
PC sid
PDB
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Patents
Similars
| PDB
PubMed
| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat |
J Med Chem 25: 197-207 (1982)
BindingDB Entry DOI: 10.7270/Q2CZ37RK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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