Found 21 hits for monomerid = 50407975 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 A3
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after ... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor 80
(Rattus norvegicus) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | Reactome pathway KEGG
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes |
J Med Chem 44: 208-14 (2001)
BindingDB Entry DOI: 10.7270/Q2H41S5S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a and A3
(Rattus norvegicus) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from rat A3A adenosine receptor expressed in CHO cell membranes after 60... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a and A3
(Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from rat A2A adenosine receptor expressed in HEK293 cell mem... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
Adenosine A2 receptor
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation
Curated by ChEMBL
| Assay Description Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680 |
J Med Chem 33: 1919-24 (1990)
BindingDB Entry DOI: 10.7270/Q2VD701M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a and A3
(Rattus norvegicus) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | Reactome pathway KEGG
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-... |
J Med Chem 37: 636-46 (1994)
BindingDB Entry DOI: 10.7270/Q2057GJZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway KEGG
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| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined |
J Med Chem 37: 636-46 (1994)
BindingDB Entry DOI: 10.7270/Q2057GJZ |
More data for this Ligand-Target Pair | |
Adenosine receptor
(Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [3H]N6-R-phenylisopropyladenosine from rat A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation prox... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway KEGG
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation
Curated by ChEMBL
| Assay Description Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen... |
J Med Chem 33: 1919-24 (1990)
BindingDB Entry DOI: 10.7270/Q2VD701M |
More data for this Ligand-Target Pair | |
Endoplasmin
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 466 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell m... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brigham Young University
Curated by ChEMBL
| Assay Description Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant. |
J Med Chem 39: 4162-6 (1996)
Article DOI: 10.1021/jm960313y BindingDB Entry DOI: 10.7270/Q2DN45QW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
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 |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 59: 11006-11026 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709 |
More data for this Ligand-Target Pair | |
Adenosine A2 receptor
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
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| PubMed
| n/a | n/a | n/a | n/a | 720 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation |
J Med Chem 29: 1683-9 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89D0F |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | Reactome pathway KEGG
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| PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP production |
ACS Med Chem Lett 6: 804-8 (2015)
BindingDB Entry DOI: 10.7270/Q23R0VPF |
More data for this Ligand-Target Pair | |
Endoplasmin
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
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| | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway KEGG
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| PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Potency against rat brain adenosine A1 receptor |
J Med Chem 29: 1683-9 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89D0F |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| | n/a | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Adenosine A2 receptor
(Homo sapiens (Human)) | BDBM50407975
(CHEMBL519809)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1 | PDB
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Potency against human platelet A2 adenosine receptor |
J Med Chem 29: 1683-9 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89D0F |
More data for this Ligand-Target Pair | |