Found 56 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 A2a
(Homo sapiens (Human)) | BDBM50377448
(CHEMBL405234)Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377447
(CHEMBL405235)Show InChI InChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377470
(CHEMBL406932)Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377448
(CHEMBL405234)Show InChI InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377465
(CHEMBL407326)Show InChI InChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377467
(CHEMBL408703)Show InChI InChI=1S/C13H7F3N2O2S/c1-6-2-3-8(20-6)10(19)9-11-7(4-5-21-11)17-12(18-9)13(14,15)16/h2-5H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377453
(CHEMBL405026)Show InChI InChI=1S/C11H7N3OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H,(H2,12,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377451
(CHEMBL404985)Show InChI InChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377449
(CHEMBL264433)Show InChI InChI=1S/C18H13N3OS2/c22-16(14-7-4-9-23-14)15-17-13(8-10-24-17)20-18(21-15)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377466
(CHEMBL259283)Show InChI InChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377468
(CHEMBL409547)Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377447
(CHEMBL405235)Show InChI InChI=1S/C14H13N3O2S2/c18-6-2-5-15-14-16-9-4-8-21-13(9)11(17-14)12(19)10-3-1-7-20-10/h1,3-4,7-8,18H,2,5-6H2,(H,15,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377460
(CHEMBL410498)Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377452
(CHEMBL264435)Show InChI InChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377450
(CHEMBL264436)Show InChI InChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,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
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377469
(CHEMBL258589)Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377452
(CHEMBL264435)Show InChI InChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377446
((S,R)-MEFLOQUINE)Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377464
(CHEMBL260547)Show InChI InChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377456
(CHEMBL405028)Show InChI InChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377451
(CHEMBL404985)Show InChI InChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377471
(CHEMBL411922)Show InChI InChI=1S/C12H6F3N3OS/c13-12(14,15)11-17-7-3-5-20-10(7)8(18-11)9(19)6-2-1-4-16-6/h1-5,16H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377454
((R,R)-MEFLOQUINE)Show SMILES O[C@@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377453
(CHEMBL405026)Show InChI InChI=1S/C11H7N3OS2/c12-11-13-6-3-5-17-10(6)8(14-11)9(15)7-2-1-4-16-7/h1-5H,(H2,12,13,14) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377446
((S,R)-MEFLOQUINE)Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377467
(CHEMBL408703)Show InChI InChI=1S/C13H7F3N2O2S/c1-6-2-3-8(20-6)10(19)9-11-7(4-5-21-11)17-12(18-9)13(14,15)16/h2-5H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377468
(CHEMBL409547)Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377459
(CHEMBL260758)Show InChI InChI=1S/C11H4F3N3OS2/c12-11(13,14)10-16-5-1-3-19-8(5)6(17-10)7(18)9-15-2-4-20-9/h1-4H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 335 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377465
(CHEMBL407326)Show InChI InChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377470
(CHEMBL406932)Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377472
(CHEMBL264699)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-3-5-21-11(8)9(19-12)10(20)7-2-1-4-17-6-7/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377460
(CHEMBL410498)Show InChI InChI=1S/C12H5F3N2O2S/c13-12(14,15)11-16-6-3-5-20-10(6)8(17-11)9(18)7-2-1-4-19-7/h1-5H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 471 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377466
(CHEMBL259283)Show InChI InChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 487 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377464
(CHEMBL260547)Show InChI InChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377454
((R,R)-MEFLOQUINE)Show SMILES O[C@@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377456
(CHEMBL405028)Show InChI InChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377461
(CHEMBL405027)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-3-6-21-11(8)9(19-12)10(20)7-1-4-17-5-2-7/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377450
(CHEMBL264436)Show InChI InChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377449
(CHEMBL264433)Show InChI InChI=1S/C18H13N3OS2/c22-16(14-7-4-9-23-14)15-17-13(8-10-24-17)20-18(21-15)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377463
((S,S)-MEFLOQUINE)Show SMILES O[C@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377462
(CHEMBL265465)Show SMILES OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7,11,20H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377471
(CHEMBL411922)Show InChI InChI=1S/C12H6F3N3OS/c13-12(14,15)11-17-7-3-5-20-10(7)8(18-11)9(19)6-2-1-4-16-6/h1-5,16H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377469
(CHEMBL258589)Show InChI InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377472
(CHEMBL264699)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-3-5-21-11(8)9(19-12)10(20)7-2-1-4-17-6-7/h1-6H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377459
(CHEMBL260758)Show InChI InChI=1S/C11H4F3N3OS2/c12-11(13,14)10-16-5-1-3-19-8(5)6(17-10)7(18)9-15-2-4-20-9/h1-4H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377455
(CHEMBL264698)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-4-6-21-11(8)9(19-12)10(20)7-3-1-2-5-17-7/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377457
(CHEMBL265464)Show SMILES OC(c1ccccc1)c1nc(nc2ccccc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-12-9-5-4-8-11(12)13(21-15)14(22)10-6-2-1-3-7-10/h1-9,14,22H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50151865
(CHEMBL172 | MEFLOQUINE)Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377463
((S,S)-MEFLOQUINE)Show SMILES O[C@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 8.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377458
(CHEMBL408869)Show SMILES OC(c1ccccc1)c1cc(nc2ccccc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)21-15)16(22)11-6-2-1-3-7-11/h1-10,16,22H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50151865
(CHEMBL172 | MEFLOQUINE)Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377461
(CHEMBL405027)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-3-6-21-11(8)9(19-12)10(20)7-1-4-17-5-2-7/h1-6H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377458
(CHEMBL408869)Show SMILES OC(c1ccccc1)c1cc(nc2ccccc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)21-15)16(22)11-6-2-1-3-7-11/h1-10,16,22H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377455
(CHEMBL264698)Show InChI InChI=1S/C13H6F3N3OS/c14-13(15,16)12-18-8-4-6-21-11(8)9(19-12)10(20)7-3-1-2-5-17-7/h1-6H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377462
(CHEMBL265465)Show SMILES OC(c1ccccc1)c1nc(nc2ccsc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7,11,20H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50377457
(CHEMBL265464)Show SMILES OC(c1ccccc1)c1nc(nc2ccccc12)C(F)(F)F |w:1.0| Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-12-9-5-4-8-11(12)13(21-15)14(22)10-6-2-1-3-7-10/h1-9,14,22H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem Lett 18: 2916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.075
BindingDB Entry DOI: 10.7270/Q2BR8T25 |
More data for this
Ligand-Target Pair | |
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