Found 412 hits with Last Name = 'berta' and Initial = 'd' 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 A2b
(Homo sapiens (Human)) | BDBM50268151
(1-Ethyl-8-(4-(4-(4-trifluoromethylbenzyl)piperazin...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C25H25F3N6O4S/c1-2-34-23(35)20-22(31-24(34)36)30-21(29-20)17-5-9-19(10-6-17)39(37,38)33-13-11-32(12-14-33)15-16-3-7-18(8-4-16)25(26,27)28/h3-10H,2,11-15H2,1H3,(H,29,30)(H,31,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268109
(8-(4-(4-(4-chlorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-5-9-19(10-6-17)36(34,35)30-13-11-29(12-14-30)15-16-3-7-18(25)8-4-16/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268164
(1-Ethyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazin...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C25H25F3N6O4S/c1-2-34-23(35)20-22(31-24(34)36)30-21(29-20)17-6-8-19(9-7-17)39(37,38)33-12-10-32(11-13-33)15-16-4-3-5-18(14-16)25(26,27)28/h3-9,14H,2,10-13,15H2,1H3,(H,29,30)(H,31,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268163
(1-Propyl-8-(4-(4-(4-trifluoromethylbenzyl)piperazi...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-11-35-24(36)21-23(32-25(35)37)31-22(30-21)18-5-9-20(10-6-18)40(38,39)34-14-12-33(13-15-34)16-17-3-7-19(8-4-17)26(27,28)29/h3-10H,2,11-16H2,1H3,(H,30,31)(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.303 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268129
(8-(4-(4-(4-chlorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.393 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268231
(8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN6O4S/c1-2-30-22(31)19-21(27-23(30)32)26-20(25-19)15-3-9-18(10-4-15)35(33,34)29-13-11-28(12-14-29)17-7-5-16(24)6-8-17/h3-10H,2,11-14H2,1H3,(H,25,26)(H,27,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.406 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268107
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268150
(8-(4-(4-(3-Fluorobenzyl)piperazine-1-sulfonyl)phen...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H27FN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.446 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268233
(8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...)Show SMILES Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1 Show InChI InChI=1S/C24H21ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h1,3-10H,11-15H2,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.473 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268232
(8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.553 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268132
(8-(4-(4-(4-Fluorobenzyl)piperazine-1-sulfonyl)phen...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H27FN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.595 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268130
(8-(4-(4-(3-Chlorobenzyl)piperazine-1-sulfonyl)phen...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268149
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.695 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268165
(1-Propyl-8-(4-(4-(3-trifluoromethylbenzyl)piperazi...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H27F3N6O4S/c1-2-10-35-24(36)21-23(32-25(35)37)31-22(30-21)18-6-8-20(9-7-18)40(38,39)34-13-11-33(12-14-34)16-17-4-3-5-19(15-17)26(27,28)29/h3-9,15H,2,10-14,16H2,1H3,(H,30,31)(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.775 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268110
(8-(4-(4-(3-Chlorobenzyl)piperazine-1-sulfonyl)phen...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Show InChI InChI=1S/C25H27ClN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.782 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268181
(8-(4-(4-(4-Methylbenzyl)piperazine-1-sulfonyl)phen...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-15-13-30(14-16-31)17-19-6-4-18(2)5-7-19/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.858 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268210
(8-(4-(4-Benzo[1,3]dioxol-5-ylmethylpiperazine-1-su...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C25H26N6O6S/c1-2-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-6-18(7-5-17)38(34,35)30-11-9-29(10-12-30)14-16-3-8-19-20(13-16)37-15-36-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.875 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268209
(8-(4-(4-(4-Methoxybenzyl)piperazine-1-sulfonyl)phe...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C26H30N6O5S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)19-6-10-21(11-7-19)38(35,36)31-15-13-30(14-16-31)17-18-4-8-20(37-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.944 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268211
(8-(4-(4-Benzo[1,3]dioxol-5-ylmethylpiperazine-1-su...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C26H28N6O6S/c1-2-9-32-25(33)22-24(29-26(32)34)28-23(27-22)18-4-6-19(7-5-18)39(35,36)31-12-10-30(11-13-31)15-17-3-8-20-21(14-17)38-16-37-20/h3-8,14H,2,9-13,15-16H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268108
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268182
(1-Ethyl-8-(4-(4-(4-methoxybenzyl)piperazine-1-sulf...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C25H28N6O5S/c1-3-31-24(32)21-23(28-25(31)33)27-22(26-21)18-6-10-20(11-7-18)37(34,35)30-14-12-29(13-15-30)16-17-4-8-19(36-2)9-5-17/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268085
(CHEMBL490262 | CHEMBL521280 | N-(2-hydroxyethyl)-2...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1 Show InChI InChI=1S/C20H24N4O5/c1-3-9-24-19(27)18-16(23(2)20(24)28)11-15(22-18)13-4-6-14(7-5-13)29-12-17(26)21-8-10-25/h4-7,11,22,25H,3,8-10,12H2,1-2H3,(H,21,26) | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268131
(1-Ethyl-8-(4-(4-(4-fluorobenzyl)piperazine-1-sulfo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-5-9-19(10-6-17)36(34,35)30-13-11-29(12-14-30)15-16-3-7-18(25)8-4-16/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190709
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268180
(1-Ethyl-8-(4-(4-(4-methylbenzyl)piperazine-1-sulfo...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-3-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-14-12-29(13-15-30)16-18-6-4-17(2)5-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190710
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
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PubMed
| 1.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268245
(8-(4-(4-(4-Methoxyphenyl)piperazine-1-sulfonyl)phe...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N6O5S/c1-3-12-31-24(32)21-23(28-25(31)33)27-22(26-21)17-4-10-20(11-5-17)37(34,35)30-15-13-29(14-16-30)18-6-8-19(36-2)9-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268257
(CHEMBL486282 | N-(1-Benzylpiperidin-4-yl)-4-(2,6-d...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-14-32-25(33)22-24(29-26(32)34)28-23(27-22)19-8-10-21(11-9-19)37(35,36)30-20-12-15-31(16-13-20)17-18-6-4-3-5-7-18/h3-11,20,30H,2,12-17H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 3.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Mus musculus) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
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| 3.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to mouse adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190709
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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CHEMBL
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PC sid
UniChem
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PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190709
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190702
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) | PDB
NCI pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 3.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190699
(8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethy...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
Reactome pathway
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UniChem
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PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268248
(1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-di...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25) | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 5.43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190703
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1 Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50229885
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) | PDB
NCI pathway
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| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50268109
(8-(4-(4-(4-chlorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-5-9-19(10-6-17)36(34,35)30-13-11-29(12-14-30)15-16-3-7-18(25)8-4-16/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| 6.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268246
(1-Ethyl-8-(4-(4-phenethylpiperazine-1-sulfonyl)phe...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-16-14-29(15-17-30)13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 7.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268247
(8-(4-(4-Phenethylpiperazine-1-sulfonyl)phenyl)-1-p...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34) | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 7.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
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PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]MRE-2029F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190702
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) | PDB
Reactome pathway
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PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268084
(8-(4-(1-(4-(5-chlorobenzo[d]thiazol-2-yl)piperazin...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1 Show InChI InChI=1S/C28H28ClN7O4S/c1-28(2,25(38)35-11-13-36(14-12-35)26-30-19-15-17(29)7-10-20(19)41-26)40-18-8-5-16(6-9-18)22-31-21-23(32-22)33(3)27(39)34(4)24(21)37/h5-10,15H,11-14H2,1-4H3,(H,31,32) | PDB
NCI pathway
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268234
(1-Ethyl-8-(4-(4-(4-methoxyphenyl)piperazine-1-sulf...)Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C24H26N6O5S/c1-3-30-23(31)20-22(27-24(30)32)26-21(25-20)16-4-10-19(11-5-16)36(33,34)29-14-12-28(13-15-29)17-6-8-18(35-2)9-7-17/h4-11H,3,12-15H2,1-2H3,(H,25,26)(H,27,32) | PDB
NCI pathway
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PC sid
UniChem
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PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190699
(8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethy...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) | PDB
Reactome pathway
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Rattus norvegicus) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
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| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to rat adenosine A2B receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
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| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
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| 16.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Binding affinity to rat adenosine A1 receptor |
J Med Chem 52: 3994-4006 (2009)
Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M |
More data for this
Ligand-Target Pair | |
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