Found 22 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CCPA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50370631
(CHEMBL607303)Show SMILES CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14| Show InChI InChI=1S/C22H32N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14H,6-11,13H2,1-5H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CCPA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50370629
(CHEMBL607302)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1=CC(C)(C)N([O])C1(C)C |t:19,^1:23| Show InChI InChI=1S/C19H28N5O3/c1-7-9-22-15-13(16(25)23(10-8-2)17(22)26)20-14(21-15)12-11-18(3,4)24(27)19(12,5)6/h11H,7-10H2,1-6H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CCPA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50163564
(3-Benzyl-8-cyclopentyl-1-propyl-3,7-dihydro-purine...)Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-2-12-23-19(25)16-18(22-17(21-16)15-10-6-7-11-15)24(20(23)26)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]R-PIA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50370632
(CHEMBL607025)Show SMILES CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29| Show InChI InChI=1S/C26H34N5O5/c1-6-7-18-21(33)20-23(30-24(18)34)29-22(28-20)15-8-10-17(11-9-15)36-14-19(32)27-16-12-25(2,3)31(35)26(4,5)13-16/h8-11,16H,6-7,12-14H2,1-5H3,(H,27,32)(H3,28,29,30,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CCPA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50370630
(CHEMBL607024)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23| Show InChI InChI=1S/C20H32N5O3/c1-7-9-23-16-14(17(26)24(10-8-2)18(23)27)21-15(22-16)13-11-19(3,4)25(28)20(5,6)12-13/h13H,7-12H2,1-6H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Percent inhibition of [3H]PSB-11 binding to adenosine A3 receptor at 10 uM |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50370632
(CHEMBL607025)Show SMILES CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29| Show InChI InChI=1S/C26H34N5O5/c1-6-7-18-21(33)20-23(30-24(18)34)29-22(28-20)15-8-10-17(11-9-15)36-14-19(32)27-16-12-25(2,3)31(35)26(4,5)13-16/h8-11,16H,6-7,12-14H2,1-5H3,(H,27,32)(H3,28,29,30,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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
Inhibition of [3H]PSB-298 binding to adenosine A2b receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241,385 binding to adenosine A2b receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50163564
(3-Benzyl-8-cyclopentyl-1-propyl-3,7-dihydro-purine...)Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-2-12-23-19(25)16-18(22-17(21-16)15-10-6-7-11-15)24(20(23)26)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-11 binding to adenosine A3 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50370630
(CHEMBL607024)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23| Show InChI InChI=1S/C20H32N5O3/c1-7-9-23-16-14(17(26)24(10-8-2)18(23)27)21-15(22-16)13-11-19(3,4)25(28)20(5,6)12-13/h13H,7-12H2,1-6H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CCPA binding to adenosine A1 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50370632
(CHEMBL607025)Show SMILES CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29| Show InChI InChI=1S/C26H34N5O5/c1-6-7-18-21(33)20-23(30-24(18)34)29-22(28-20)15-8-10-17(11-9-15)36-14-19(32)27-16-12-25(2,3)31(35)26(4,5)13-16/h8-11,16H,6-7,12-14H2,1-5H3,(H,27,32)(H3,28,29,30,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-11 binding to adenosine A3 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MSX-2 binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50163564
(3-Benzyl-8-cyclopentyl-1-propyl-3,7-dihydro-purine...)Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O2/c1-2-12-23-19(25)16-18(22-17(21-16)15-10-6-7-11-15)24(20(23)26)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 511 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-11 binding to adenosine A3 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50370631
(CHEMBL607303)Show SMILES CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14| Show InChI InChI=1S/C22H32N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14H,6-11,13H2,1-5H3,(H,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-298 binding to adenosine A2b receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50370632
(CHEMBL607025)Show SMILES CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29| Show InChI InChI=1S/C26H34N5O5/c1-6-7-18-21(33)20-23(30-24(18)34)29-22(28-20)15-8-10-17(11-9-15)36-14-19(32)27-16-12-25(2,3)31(35)26(4,5)13-16/h8-11,16H,6-7,12-14H2,1-5H3,(H,27,32)(H3,28,29,30,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MSX-2 binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50370631
(CHEMBL607303)Show SMILES CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14| Show InChI InChI=1S/C22H32N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14H,6-11,13H2,1-5H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-11 binding to adenosine A3 receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50370629
(CHEMBL607302)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1=CC(C)(C)N([O])C1(C)C |t:19,^1:23| Show InChI InChI=1S/C19H28N5O3/c1-7-9-22-15-13(16(25)23(10-8-2)17(22)26)20-14(21-15)12-11-18(3,4)24(27)19(12,5)6/h11H,7-10H2,1-6H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-298 binding to adenosine A2b receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50370629
(CHEMBL607302)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1=CC(C)(C)N([O])C1(C)C |t:19,^1:23| Show InChI InChI=1S/C19H28N5O3/c1-7-9-22-15-13(16(25)23(10-8-2)17(22)26)20-14(21-15)12-11-18(3,4)24(27)19(12,5)6/h11H,7-10H2,1-6H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MSX-2 binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50370630
(CHEMBL607024)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23| Show InChI InChI=1S/C20H32N5O3/c1-7-9-23-16-14(17(26)24(10-8-2)18(23)27)21-15(22-16)13-11-19(3,4)25(28)20(5,6)12-13/h13H,7-12H2,1-6H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MSX-2 binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50370631
(CHEMBL607303)Show SMILES CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14| Show InChI InChI=1S/C22H32N5O3/c1-6-11-25-19(28)16-18(24-17(23-16)14-9-7-8-10-14)26(20(25)29)13-15-12-21(2,3)27(30)22(15,4)5/h12,14H,6-11,13H2,1-5H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]MSX-2 binding to adenosine A2a receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50370630
(CHEMBL607024)Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23| Show InChI InChI=1S/C20H32N5O3/c1-7-9-23-16-14(17(26)24(10-8-2)18(23)27)21-15(22-16)13-11-19(3,4)25(28)20(5,6)12-13/h13H,7-12H2,1-6H3,(H,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PSB-298 binding to adenosine A2b receptor |
J Med Chem 48: 2108-14 (2005)
Article DOI: 10.1021/jm049513x
BindingDB Entry DOI: 10.7270/Q2154HVK |
More data for this
Ligand-Target Pair | |
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