Found 135 hits of Enzyme Inhibition Constant Data 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 A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.350 | -54.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 0.450 | -53.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 0.840 | -51.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 0.910 | -51.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 1.5 | -50.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 9.30 | -45.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16.4 | -44.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 21.4 | -43.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080390
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway KEGG
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Similars
| Article PubMed
| 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 41.7 | -42.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50080390
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| 47.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 78.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 246 | -37.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 320 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 378 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 394 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 443 | -36.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 444 | -36.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 484 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 493 | -36.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 505 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 545 | -35.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 628 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 719 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50080390
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 764 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 773 | -34.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 775 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.14E+3 | -33.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.18E+3 | -33.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.11E+3 | -32.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.59E+3 | -31.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.47E+3 | -31.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.60E+3 | -31.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.87E+3 | -30.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.14E+3 | -30.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.40E+3 | -30.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.51E+3 | -30.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.68E+3 | -29.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 6.09E+3 | -29.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | >-28.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.08E+4 | -28.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | -28.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.33E+4 | -27.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.28E+4 | -25.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.61E+4 | -24.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.81E+4 | -24.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.52E+4 | -24.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.76E+4 | -24.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 7.42E+4 | -23.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.24E+5 | -22.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59212
(Adenosine analog, 19)Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r| Show InChI InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59202
(Adenosine analog, 5)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59209
(Adenosine analog, 14)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r| Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59211
(Adenosine analog, 18)Show SMILES CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59203
(Adenosine analog, 8)Show SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59204
(Adenosine analog, 9)Show SMILES NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59205
(Adenosine analog, 10)Show SMILES NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59207
(Adenosine analog, 12)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 54.5 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50106539
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59210
(Adenosine analog, 15)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.72E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 942 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this Ligand-Target Pair | |