Found 54 hits with Last Name = 'niubó' and Initial = 'i' 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 A3
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150764
![PNG](/data/jpeg/tenK5015/BindingDB_50150764.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM35804
![PNG](/data/jpeg/tenK3/BindingDB_35804.png) ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM35804
![PNG](/data/jpeg/tenK3/BindingDB_35804.png) ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM35804
![PNG](/data/jpeg/tenK3/BindingDB_35804.png) ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 369 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150764
![PNG](/data/jpeg/tenK5015/BindingDB_50150764.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150764
![PNG](/data/jpeg/tenK5015/BindingDB_50150764.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL 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 |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM35804
![PNG](/data/jpeg/tenK3/BindingDB_35804.png) ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150764
![PNG](/data/jpeg/tenK5015/BindingDB_50150764.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL 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 |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 950 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150763
![PNG](/data/jpeg/tenK5015/BindingDB_50150763.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.png) ((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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150762
![PNG](/data/jpeg/tenK5015/BindingDB_50150762.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150764
![PNG](/data/jpeg/tenK5015/BindingDB_50150764.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150766
![PNG](/data/jpeg/tenK5015/BindingDB_50150766.png) ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL 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 |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50150765
![PNG](/data/jpeg/tenK5015/BindingDB_50150765.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150767
![PNG](/data/jpeg/tenK5015/BindingDB_50150767.png) ((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+ BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this Ligand-Target Pair | |