Found 47 hits with Last Name = 'moni' and Initial = 'rw' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366574
(CHEMBL609646)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@H](Cn3c(=N)nc12)c1ccccc1 |r| Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11+,13+,14+,17?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004713
((R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366575
(CHEMBL609645)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@@H](Cn3c(=N)nc12)c1ccccc1 |r| Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11-,13-,14-,17?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004721
((S)-8-Benzyl-3-phenyl-5-propoxy-7,8-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366576
(CHEMBL609546)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13+,15+,16+,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366578
(CHEMBL609547)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13-,15-,16-,19?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004722
((R)-8-Benzyl-3-phenyl-5-propoxy-7,8-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004714
((S)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366573
(CHEMBL607912)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366573
(CHEMBL607912)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366572
(CHEMBL607911)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12+,14+,15+,18?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366572
(CHEMBL607911)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12+,14+,15+,18?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004716
((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004721
((S)-8-Benzyl-3-phenyl-5-propoxy-7,8-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004714
((S)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004716
((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366579
(CHEMBL608068)Show SMILES C[C@@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12-,14+,15-,16-,19?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50366577
(CHEMBL609247)Show SMILES C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12+,14+,15+,16+,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50366576
(CHEMBL609546)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13+,15+,16+,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50366573
(CHEMBL607912)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12-,14-,15-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004710
((2S,3S)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity for rat brain Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004710
((2S,3S)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50366577
(CHEMBL609247)Show SMILES C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12+,14+,15+,16+,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50366578
(CHEMBL609547)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14| Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-20-14-17(24)21-9-23-7-12(22-18(14)23)6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,25-27H,6-8H2/t12-,13-,15-,16-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004722
((R)-8-Benzyl-3-phenyl-5-propoxy-7,8-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004713
((R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...)Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50366572
(CHEMBL607911)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14| Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-19-13-16(23)20-8-22-6-11(21-17(13)22)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,24-26H,6-7H2/t11-,12+,14+,15+,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.89E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding affinity against Adenosine A2a receptor from rat striata |
Bioorg Med Chem Lett 8: 695-8 (1999)
BindingDB Entry DOI: 10.7270/Q2X63NGB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50048468
(2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...)Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity against adenosine A1 receptor |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241599
(CHEMBL453012 | sideroxylonal A)Show SMILES CC(C)C[C@H]1[C@@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241601
(CHEMBL453538 | sideroxylonal C)Show SMILES CC(C)C[C@@H]1[C@@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241600
(CHEMBL509880 | sideroxylonal B)Show SMILES CC(C)C[C@H]1[C@H](C(C)C)[C@@H](Oc2c(C=O)c(O)c(C=O)c(O)c12)c1c(O)c(C=O)c(O)c(C=O)c1O |r| Show InChI InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50259777
(18-bromooctadeca-(9E,17E)-diene-7,15-diynoic acid ...)Show InChI InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7-10,12,14,16H2,(H,20,21)/b2-1+,17-15+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from rat brain adenosine A1 receptor |
J Nat Prod 62: 1439-42 (1999)
BindingDB Entry DOI: 10.7270/Q23R0SN5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50040787
(CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...)Show SMILES [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity against adenosine A1 receptor |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241606
(CHEMBL454049 | euglobal IA2)Show SMILES CC(C)C[C@H]1[C@H]2C[C@@H](C=C[C@@]2(C)Oc2c(C=O)c(O)c(C=O)c(O)c12)C(C)C |r,c:8| Show InChI InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3/t14-,15+,18-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241608
(CHEMBL509920 | robustadial A)Show SMILES CC(C)C[C@@H]1C[C@@]2(CC[C@@H]3C[C@H]2C3(C)C)Oc2c(C=O)c(O)c(C=O)c(O)c12 |r| Show InChI InChI=1S/C23H30O5/c1-12(2)7-13-9-23(6-5-14-8-17(23)22(14,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(13)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50241607
(CHEMBL454050 | euglobal IIc)Show SMILES CC(C)CC(=O)c1c(O)c2C[C@H]3C[C@@H](C=C[C@@]3(C)Oc2c(C=O)c1O)C(C)C |r,c:14| Show InChI InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14-,15-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance |
J Nat Prod 62: 324-6 (1999)
Article DOI: 10.1021/np980286+
BindingDB Entry DOI: 10.7270/Q24Q7TRJ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM35804
((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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM35804
((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
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| n/a | n/a | n/a | n/a | 6.44E+3 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding against human adenosine A1 receptor |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50069319
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding against human adenosine A1 receptor |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50069320
((2S,3S,4S,5S)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)Show SMILES CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14+,15-,18-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 869 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding against human adenosine A1 receptor |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50069320
((2S,3S,4S,5S)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)Show SMILES CC(C)(OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14+,15-,18-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
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
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| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding against human adenosine A1 receptor |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50040787
(CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...)Show SMILES [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Kd value for adenosine A1 receptor binding at 14.5 uM |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50040787
(CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...)Show SMILES [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Kd value for adenosine A1 receptor binding at 145 uM |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | 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
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| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50366575
(CHEMBL609645)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@@H](Cn3c(=N)nc12)c1ccccc1 |r| Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11-,13-,14-,17?/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Binding against Human Adenosine A1 receptor |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50069319
((2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-(1-methyl-1...)Show SMILES CC(C)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C19H23N5O4/c1-19(2,11-6-4-3-5-7-11)27-8-12-14(25)15(26)18(28-12)24-10-23-13-16(20)21-9-22-17(13)24/h3-7,9-10,12,14-15,18,25-26H,8H2,1-2H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
[S]GTP gamma-S binding against adenosine A1 receptor in rat brain |
Bioorg Med Chem Lett 8: 691-4 (1999)
BindingDB Entry DOI: 10.7270/Q21Z44Z9 |
More data for this
Ligand-Target Pair | |
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