Found 191 hits with Last Name = 'cohen-williams' and Initial = 'me' 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)) | BDBM50243660
(2-Furan-2-yl-7-[2-(7-nitro-1,2,4,5-tetrahydro-benz...)Show SMILES Nc1nc2n(CCN3CCc4ccc(cc4CC3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21N9O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-11-34-18)13-24-29(20)10-9-28-7-5-14-3-4-16(31(32)33)12-15(14)6-8-28/h1-4,11-13H,5-10H2,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243661
(7-[2-(7-Bromo-1,2,4,5-tetrahydro-benzo[d]azepin-3-...)Show SMILES Nc1nc2n(CCN3CCc4ccc(Br)cc4CC3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21BrN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169328
(5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...)Show SMILES COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-41-26-8-7-24(17-23(26)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-40-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169314
(2-Furan-2-yl-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]...)Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-4-1-2-6-16-9)8-12-18-13(19-20(12)14)11-5-3-7-21-11/h1-8H,(H2,15,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243027
(2-Furan-2-yl-7-{2-[8-(2-methoxy-ethoxy)-3,4-dihydr...)Show SMILES COCCOc1cccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 Show InChI InChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242875
(7-[2-(3-Bromo-7,8-dihydro-5H-[1,6]naphthyridin-6-y...)Show SMILES Nc1nc2n(CCN3CCc4ncc(Br)cc4C3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169318
(2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]...)Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-3-5-16-6-4-9)8-12-18-13(19-20(12)14)11-2-1-7-21-11/h1-8H,(H2,15,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243696
(2-Furan-2-yl-7-[2-(7-methoxy-1,2,4,5-tetrahydro-be...)Show SMILES COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 Show InChI InChI=1S/C23H24N8O2/c1-32-17-5-4-15-6-8-29(9-7-16(15)13-17)10-11-30-21-18(14-25-30)22-26-20(19-3-2-12-33-19)28-31(22)23(24)27-21/h2-5,12-14H,6-11H2,1H3,(H2,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243025
(7-[2-(6,7-Dimethoxy-3-methyl-3,4-dihydro-1H-isoqui...)Show SMILES COc1cc2CC(C)N(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2cc1OC Show InChI InChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242874
(7-[2-(3-Cyclopropyl-7,8-dihydro-5H-[1,6]naphthyrid...)Show SMILES Nc1nc2n(CCN3CCc4ncc(cc4C3)C3CC3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C23H23N9O/c24-23-28-21-17(22-27-20(29-32(22)23)19-2-1-9-33-19)12-26-31(21)8-7-30-6-5-18-16(13-30)10-15(11-25-18)14-3-4-14/h1-2,9-12,14H,3-8,13H2,(H2,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243659
(2-Furan-2-yl-7-[2-(1,2,4,5-tetrahydro-benzo[d]azep...)Show SMILES Nc1nc2n(CCN3CCc4ccccc4CC3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22N8O/c23-22-26-20-17(21-25-19(27-30(21)22)18-6-3-13-31-18)14-24-29(20)12-11-28-9-7-15-4-1-2-5-16(15)8-10-28/h1-6,13-14H,7-12H2,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243697
(2-Furan-2-yl-7-{2-[7-(2-methoxy-ethoxy)-1,2,4,5-te...)Show SMILES COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 Show InChI InChI=1S/C25H28N8O3/c1-34-13-14-35-19-5-4-17-6-8-31(9-7-18(17)15-19)10-11-32-23-20(16-27-32)24-28-22(21-3-2-12-36-21)30-33(24)25(26)29-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242873
(2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]na...)Show SMILES Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C21H21N9O/c1-13-9-14-12-28(5-4-16(14)23-10-13)6-7-29-19-15(11-24-29)20-25-18(17-3-2-8-31-17)27-30(20)21(22)26-19/h2-3,8-11H,4-7,12H2,1H3,(H2,22,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50048466
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169326
(7-(3-{4-[3,5-Difluoro-4-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1c(F)cc(cc1F)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C29H29F2N7O3/c1-39-12-13-41-27-22(30)15-21(16-23(27)31)37-9-7-36(8-10-37)18-19-4-2-5-20(14-19)24-17-26-34-28(25-6-3-11-40-25)35-38(26)29(32)33-24/h2-6,11,14-17H,7-10,12-13,18H2,1H3,(H2,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243026
(7-[2-(1-Benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoqui...)Show SMILES COc1cc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)C(Cc3ccccc3)c2cc1OC Show InChI InChI=1S/C30H30N8O3/c1-39-25-16-20-10-11-36(23(21(20)17-26(25)40-2)15-19-7-4-3-5-8-19)12-13-37-28-22(18-32-37)29-33-27(24-9-6-14-41-24)35-38(29)30(31)34-28/h3-9,14,16-18,23H,10-13,15H2,1-2H3,(H2,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169313
(2-Furan-2-yl-7-[3-(4-thiazol-2-yl-piperazin-1-ylme...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2nccs2)c1 Show InChI InChI=1S/C23H22N8OS/c24-22-26-18(14-20-27-21(28-31(20)22)19-5-2-11-32-19)17-4-1-3-16(13-17)15-29-7-9-30(10-8-29)23-25-6-12-33-23/h1-6,11-14H,7-10,15H2,(H2,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243028
(2-Furan-2-yl-7-[2-(6-methoxy-3,4-dihydro-1H-isoqui...)Show SMILES COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 Show InChI InChI=1S/C22H22N8O2/c1-31-16-5-4-15-13-28(7-6-14(15)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169312
(7-(3-{4-[2-Fluoro-4-(2-methoxy-ethoxy)-phenyl]-pip...)Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C29H30FN7O3/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169331
(2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-2-methy...)Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(C)c1 Show InChI InChI=1S/C30H33N7O3/c1-21-17-24(39-16-15-38-2)8-9-26(21)36-12-10-35(11-13-36)20-22-5-3-6-23(18-22)25-19-28-33-29(27-7-4-14-40-27)34-37(28)30(31)32-25/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169323
(2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1ccc(cc1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C29H31N7O3/c1-37-16-17-38-24-9-7-23(8-10-24)35-13-11-34(12-14-35)20-21-4-2-5-22(18-21)25-19-27-32-28(26-6-3-15-39-26)33-36(27)29(30)31-25/h2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169317
(CHEMBL360446 | [3-(5-Amino-2-furan-2-yl-[1,2,4]tri...)Show InChI InChI=1S/C16H13N5O2/c17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13/h1-8,22H,9H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169332
(7-(3-{4-[2-Chloro-4-(2-methoxy-ethoxy)-phenyl]-pip...)Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(Cl)c1 Show InChI InChI=1S/C29H30ClN7O3/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169309
(7-(2,4-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)Show SMILES COc1ccc(c(OC)c1)-c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C17H15N5O3/c1-23-10-5-6-11(14(8-10)24-2)12-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-12/h3-9H,1-2H3,(H2,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242876
(2-Furan-2-yl-7-{2-[3-(2-methoxy-ethoxy)-7,8-dihydr...)Show SMILES COCCOc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C23H25N9O3/c1-33-9-10-34-16-11-15-14-30(5-4-18(15)25-12-16)6-7-31-21-17(13-26-31)22-27-20(19-3-2-8-35-19)29-32(22)23(24)28-21/h2-3,8,11-13H,4-7,9-10,14H2,1H3,(H2,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243029
(2-Furan-2-yl-7-[2-(7-methoxy-3,4-dihydro-1H-isoqui...)Show SMILES COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C22H22N8O2/c1-31-16-5-4-14-6-7-28(13-15(14)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243695
(7-[2-(7-Chloro-1,2,4,5-tetrahydro-benzo[d]azepin-3...)Show SMILES Nc1nc2n(CCN3CCc4ccc(Cl)cc4CC3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21ClN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169304
(2-Furan-2-yl-7-(3-{4-[3-methoxy-4-(2-methoxy-ethox...)Show SMILES COCCOc1ccc(cc1OC)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C30H33N7O4/c1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169339
(2-Furan-2-yl-7-{3-[(methyl-phenethyl-amino)-methyl...)Show SMILES CN(CCc1ccccc1)Cc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C25H24N6O/c1-30(13-12-18-7-3-2-4-8-18)17-19-9-5-10-20(15-19)21-16-23-28-24(22-11-6-14-32-22)29-31(23)25(26)27-21/h2-11,14-16H,12-13,17H2,1H3,(H2,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169306
(2-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...)Show SMILES COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(c1)C#N Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-40-24-7-8-26(23(17-24)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-41-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169322
(2-Furan-2-yl-7-m-tolyl-[1,2,4]triazolo[1,5-c]pyrim...)Show InChI InChI=1S/C16H13N5O/c1-10-4-2-5-11(8-10)12-9-14-19-15(13-6-3-7-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169324
(2-Furan-2-yl-7-(3-{4-[3-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1cccc(c1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C29H31N7O3/c1-37-15-16-38-24-8-3-7-23(18-24)35-12-10-34(11-13-35)20-21-5-2-6-22(17-21)25-19-27-32-28(26-9-4-14-39-26)33-36(27)29(30)31-25/h2-9,14,17-19H,10-13,15-16,20H2,1H3,(H2,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242937
(7-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-fu...)Show SMILES Nc1nc2n(CCN3CCc4ccccc4C3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H20N8O/c22-21-25-19-16(20-24-18(26-29(20)21)17-6-3-11-30-17)12-23-28(19)10-9-27-8-7-14-4-1-2-5-15(14)13-27/h1-6,11-12H,7-10,13H2,(H2,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169338
(2-(furan-2-yl)-7-(2-methoxyphenyl)-[1,2,4]triazolo...)Show InChI InChI=1S/C16H13N5O2/c1-22-12-6-3-2-5-10(12)11-9-14-19-15(13-7-4-8-23-13)20-21(14)16(17)18-11/h2-9H,1H3,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169315
(2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c...)Show InChI InChI=1S/C13H9N5OS/c14-13-15-8(10-4-2-6-20-10)7-11-16-12(17-18(11)13)9-3-1-5-19-9/h1-7H,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169333
(2-Furan-2-yl-7-(2,3,4-trimethoxy-phenyl)-[1,2,4]tr...)Show SMILES COc1ccc(-c2cc3nc(nn3c(N)n2)-c2ccco2)c(OC)c1OC Show InChI InChI=1S/C18H17N5O4/c1-24-12-7-6-10(15(25-2)16(12)26-3)11-9-14-21-17(13-5-4-8-27-13)22-23(14)18(19)20-11/h4-9H,1-3H3,(H2,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169330
(2-Furan-2-yl-7-(3,4,5-trimethoxy-phenyl)-[1,2,4]tr...)Show SMILES COc1cc(cc(OC)c1OC)-c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H17N5O4/c1-24-13-7-10(8-14(25-2)16(13)26-3)11-9-15-21-17(12-5-4-6-27-12)22-23(15)18(19)20-11/h4-9H,1-3H3,(H2,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169319
(7-(2,5-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triaz...)Show SMILES COc1ccc(OC)c(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C17H15N5O3/c1-23-10-5-6-13(24-2)11(8-10)12-9-15-20-16(14-4-3-7-25-14)21-22(15)17(18)19-12/h3-9H,1-2H3,(H2,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169316
(2-Furan-2-yl-7-[3-(4-phenyl-piperazin-1-ylmethyl)-...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169321
(2-Furan-2-yl-7-[3-(4-phenyl-piperidin-1-ylmethyl)-...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCC(CC2)c2ccccc2)c1 Show InChI InChI=1S/C27H26N6O/c28-27-29-23(17-25-30-26(31-33(25)27)24-10-5-15-34-24)22-9-4-6-19(16-22)18-32-13-11-21(12-14-32)20-7-2-1-3-8-20/h1-10,15-17,21H,11-14,18H2,(H2,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169336
(2-Furan-2-yl-7-(4-isopropyl-phenyl)-[1,2,4]triazol...)Show InChI InChI=1S/C18H17N5O/c1-11(2)12-5-7-13(8-6-12)14-10-16-21-17(15-4-3-9-24-15)22-23(16)18(19)20-14/h3-11H,1-2H3,(H2,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243698
(7-[2-(7,8-Dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl...)Show SMILES Nc1nc2n(CCN3CCc4ncccc4C3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C20H19N9O/c21-20-25-18-14(19-24-17(26-29(19)20)16-4-2-10-30-16)11-23-28(18)9-8-27-7-5-15-13(12-27)3-1-6-22-15/h1-4,6,10-11H,5,7-9,12H2,(H2,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169334
(2-Furan-2-yl-7-(3-methoxy-phenyl)-[1,2,4]triazolo[...)Show InChI InChI=1S/C16H13N5O2/c1-22-11-5-2-4-10(8-11)12-9-14-19-15(13-6-3-7-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169301
(7-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,...)Show InChI InChI=1S/C15H12N6O/c16-10-4-1-3-9(7-10)11-8-13-19-14(12-5-2-6-22-12)20-21(13)15(17)18-11/h1-8H,16H2,(H2,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242940
(2-Furan-2-yl-7-[2-(2-trifluoromethyl-7,8-dihydro-5...)Show SMILES Nc1nc2n(CCN3CCc4nc(ccc4C3)C(F)(F)F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H18F3N9O/c22-21(23,24)16-4-3-12-11-31(6-5-14(12)27-16)7-8-32-18-13(10-26-32)19-28-17(15-2-1-9-34-15)30-33(19)20(25)29-18/h1-4,9-10H,5-8,11H2,(H2,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243658
(2-Furan-2-yl-7-{2-[7-(2-methoxy-ethoxy)-3,4-dihydr...)Show SMILES COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C24H26N8O3/c1-33-11-12-34-18-5-4-16-6-7-30(15-17(16)13-18)8-9-31-22-19(14-26-31)23-27-21(20-3-2-10-35-20)29-32(23)24(25)28-22/h2-5,10,13-14H,6-9,11-12,15H2,1H3,(H2,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50242936
(2-Furan-2-yl-7-[2-(5-methoxy-1,3-dihydro-isoindol-...)Show SMILES COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C21H20N8O2/c1-30-15-5-4-13-11-27(12-14(13)9-15)6-7-28-19-16(10-23-28)20-24-18(17-3-2-8-31-17)26-29(20)21(22)25-19/h2-5,8-10H,6-7,11-12H2,1H3,(H2,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169310
(3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyri...)Show InChI InChI=1S/C16H10N6O/c17-9-10-3-1-4-11(7-10)12-8-14-20-15(13-5-2-6-23-13)21-22(14)16(18)19-12/h1-8H,(H2,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50169303
(7-Biphenyl-3-yl-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H15N5O/c22-21-23-17(13-19-24-20(25-26(19)21)18-10-5-11-27-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H,(H2,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat |
Bioorg Med Chem Lett 15: 3670-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50243657
(2-Furan-2-yl-7-[2-(4-methoxy-1,3-dihydro-isoindol-...)Show SMILES COc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 Show InChI InChI=1S/C21H20N8O2/c1-30-16-5-2-4-13-11-27(12-15(13)16)7-8-28-19-14(10-23-28)20-24-18(17-6-3-9-31-17)26-29(20)21(22)25-19/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 18: 4204-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.069
BindingDB Entry DOI: 10.7270/Q2JS9Q7R |
More data for this
Ligand-Target Pair | |
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