Found 183 hits Enz. Inhib. hit(s) with all data for entry = 50047750 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)) | BDBM50187587
(CHEMBL3827598)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187585
(CHEMBL3827074)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187591
(CHEMBL3827331)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187591
(CHEMBL3827331)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187588
(CHEMBL3827201)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187660
(CHEMBL3828002)Show SMILES CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187584
(CHEMBL3827187)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187664
(CHEMBL3828555)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H44N6O4/c1-3-5-14-35-27-26(28(37)36(30(35)38)15-6-4-2)34-16-7-13-33(29(34)31-27)17-12-24-8-10-25(11-9-24)40-23-20-32-18-21-39-22-19-32/h8-11H,3-7,12-23H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187592
(CHEMBL3827301)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C22H29N5O3/c1-3-5-12-26-19-18(20(29)27(22(26)30)13-6-4-2)25-15-7-14-24(21(25)23-19)16-8-10-17(28)11-9-16/h8-11,28H,3-7,12-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187586
(CHEMBL3827623)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187662
(CHEMBL3827267)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C24H34N6O3/c1-5-12-29-21-20(22(31)30(13-6-2)24(29)32)28-15-7-14-27(23(28)25-21)18-8-10-19(11-9-18)33-17-16-26(3)4/h8-11H,5-7,12-17H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187660
(CHEMBL3828002)Show SMILES CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187605
(CHEMBL3827298)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H38N6O3/c1-3-13-32-24-23(25(34)33(14-4-2)27(32)35)31-18-8-17-30(26(31)28-24)21-9-11-22(12-10-21)36-20-19-29-15-6-5-7-16-29/h9-12H,3-8,13-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187593
(CHEMBL3827922)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C28H40N6O4/c1-3-5-12-33-25-24(26(35)34(28(33)36)13-6-4-2)32-15-7-14-31(27(32)29-25)22-8-10-23(11-9-22)38-21-18-30-16-19-37-20-17-30/h8-11H,3-7,12-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187590
(CHEMBL3827583)Show SMILES CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 271 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187659
(CHEMBL3827716)Show SMILES CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C22H30N6O3/c1-5-25-19-18(20(29)26(6-2)22(25)30)28-13-7-12-27(21(28)23-19)16-8-10-17(11-9-16)31-15-14-24(3)4/h8-11H,5-7,12-15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187591
(CHEMBL3827331)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187664
(CHEMBL3828555)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H44N6O4/c1-3-5-14-35-27-26(28(37)36(30(35)38)15-6-4-2)34-16-7-13-33(29(34)31-27)17-12-24-8-10-25(11-9-24)40-23-20-32-18-21-39-22-19-32/h8-11H,3-7,12-23H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 337 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187676
(CHEMBL3828401)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H42N6O3/c1-5-15-33-25-24(26(35)34(16-6-2)28(33)36)32-18-9-17-31(27(32)29-25)19-14-22-10-12-23(13-11-22)37-21-20-30(7-3)8-4/h10-13H,5-9,14-21H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 338 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187589
(CHEMBL3827859)Show SMILES CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 Show InChI InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187676
(CHEMBL3828401)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H42N6O3/c1-5-15-33-25-24(26(35)34(16-6-2)28(33)36)32-18-9-17-31(27(32)29-25)19-14-22-10-12-23(13-11-22)37-21-20-30(7-3)8-4/h10-13H,5-9,14-21H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187674
(CHEMBL3828658)Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187674
(CHEMBL3828658)Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 464 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187655
(CHEMBL3827920)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H40N6O4/c1-3-11-33-25-24(26(35)34(12-4-2)28(33)36)32-14-5-13-31(27(32)29-25)15-10-22-6-8-23(9-7-22)38-21-18-30-16-19-37-20-17-30/h6-9H,3-5,10-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187590
(CHEMBL3827583)Show SMILES CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187661
(CHEMBL3828044)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C20H25N5O3/c1-3-10-24-17-16(18(27)25(11-4-2)20(24)28)23-13-5-12-22(19(23)21-17)14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187660
(CHEMBL3828002)Show SMILES CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 518 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187587
(CHEMBL3827598)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187591
(CHEMBL3827331)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 546 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187589
(CHEMBL3827859)Show SMILES CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 Show InChI InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 559 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187591
(CHEMBL3827331)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 566 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50187666
(CHEMBL3827653)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C26H38N6O3/c1-5-14-31-23-22(24(33)32(15-6-2)26(31)34)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(7-3)8-4/h10-13H,5-9,14-19H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 567 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187596
(CHEMBL3827016)Show SMILES Cn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H32N6O4/c1-26-21-20(22(31)27(2)24(26)32)30-10-3-9-29(23(30)25-21)11-8-18-4-6-19(7-5-18)34-17-14-28-12-15-33-16-13-28/h4-7H,3,8-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 585 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187660
(CHEMBL3828002)Show SMILES CCCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C24H33N5O3/c1-3-5-14-28-21-20(22(31)29(24(28)32)15-6-4-2)27-16-7-13-26(23(27)25-21)17-12-18-8-10-19(30)11-9-18/h8-11,30H,3-7,12-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 619 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187676
(CHEMBL3828401)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H42N6O3/c1-5-15-33-25-24(26(35)34(16-6-2)28(33)36)32-18-9-17-31(27(32)29-25)19-14-22-10-12-23(13-11-22)37-21-20-30(7-3)8-4/h10-13H,5-9,14-21H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 633 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187595
(CHEMBL3828343)Show SMILES Cn1c2nc3N(CCc4ccc(OCCN5CCCCC5)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C25H34N6O3/c1-27-22-21(23(32)28(2)25(27)33)31-15-6-14-30(24(31)26-22)16-11-19-7-9-20(10-8-19)34-18-17-29-12-4-3-5-13-29/h7-10H,3-6,11-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 645 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187599
(CHEMBL3828237)Show SMILES CN(C)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 Show InChI InChI=1S/C22H30N6O3/c1-24(2)14-15-31-17-8-6-16(7-9-17)10-13-27-11-5-12-28-18-19(23-21(27)28)25(3)22(30)26(4)20(18)29/h6-9H,5,10-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 653 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187676
(CHEMBL3828401)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H42N6O3/c1-5-15-33-25-24(26(35)34(16-6-2)28(33)36)32-18-9-17-31(27(32)29-25)19-14-22-10-12-23(13-11-22)37-21-20-30(7-3)8-4/h10-13H,5-9,14-21H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 658 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187585
(CHEMBL3827074)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 658 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187674
(CHEMBL3828658)Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 663 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187585
(CHEMBL3827074)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 666 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187588
(CHEMBL3827201)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 713 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187592
(CHEMBL3827301)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C22H29N5O3/c1-3-5-12-26-19-18(20(29)27(22(26)30)13-6-4-2)25-15-7-14-24(21(25)23-19)16-8-10-17(28)11-9-16/h8-11,28H,3-7,12-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 738 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187661
(CHEMBL3828044)Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C20H25N5O3/c1-3-10-24-17-16(18(27)25(11-4-2)20(24)28)23-13-5-12-22(19(23)21-17)14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 785 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50187655
(CHEMBL3827920)Show SMILES CCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H40N6O4/c1-3-11-33-25-24(26(35)34(12-4-2)28(33)36)32-14-5-13-31(27(32)29-25)15-10-22-6-8-23(9-7-22)38-21-18-30-16-19-37-20-17-30/h6-9H,3-5,10-21H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 853 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187667
(CHEMBL3827365)Show SMILES CCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CC)c1=O Show InChI InChI=1S/C26H36N6O4/c1-3-30-23-22(24(33)31(4-2)26(30)34)32-12-5-11-29(25(32)27-23)13-10-20-6-8-21(9-7-20)36-19-16-28-14-17-35-18-15-28/h6-9H,3-5,10-19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 859 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187664
(CHEMBL3828555)Show SMILES CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C30H44N6O4/c1-3-5-14-35-27-26(28(37)36(30(35)38)15-6-4-2)34-16-7-13-33(29(34)31-27)17-12-24-8-10-25(11-9-24)40-23-20-32-18-21-39-22-19-32/h8-11H,3-7,12-23H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187656
(CHEMBL3093326)Show SMILES CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C18H21N5O3/c1-3-20-15-14(16(25)21(4-2)18(20)26)23-11-5-10-22(17(23)19-15)12-6-8-13(24)9-7-12/h6-9,24H,3-5,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 893 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187588
(CHEMBL3827201)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 921 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50187585
(CHEMBL3827074)Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H40N6O3/c1-3-5-16-33-25-24(26(35)34(28(33)36)17-6-4-2)32-19-9-18-31(27(32)29-25)22-10-12-23(13-11-22)37-21-20-30-14-7-8-15-30/h10-13H,3-9,14-21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 989 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes |
Bioorg Med Chem 24: 4347-4362 (2016)
Article DOI: 10.1016/j.bmc.2016.07.028
BindingDB Entry DOI: 10.7270/Q2R49SQ5 |
More data for this
Ligand-Target Pair | |
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