Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50027994 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)) | BDBM50256362
(CHEMBL470942 | N7-(cyclopropylmethyl)-N7-(2-(4-(2,...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1 Show InChI InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256492
(CHEMBL480570 | N7-(2-(4-(2,4-difluorophenyl)pipera...)Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1nccnc1C Show InChI InChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256419
(CHEMBL480542 | N7-(2-(4-(2,4-difluorophenyl)pipera...)Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cnco1 Show InChI InChI=1S/C21H23F2N9O/c1-29(4-5-30-6-8-31(9-7-30)16-3-2-14(22)10-15(16)23)18-11-19-26-20(17-12-25-13-33-17)28-32(19)21(24)27-18/h2-3,10-13H,4-9H2,1H3,(H2,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256300
(CHEMBL514939 | N7-(2-(4-(2,4-difluorophenyl)pipera...)Show SMILES COCCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C24H28F2N8O2/c1-35-14-12-33(11-8-31-6-9-32(10-7-31)19-5-4-17(25)15-18(19)26)21-16-22-28-23(20-3-2-13-36-20)30-34(22)24(27)29-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256418
(3-(5-amino-7-((2-(4-(4-(2-methoxyethoxy)phenyl)pip...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C28H33N9O2/c1-34(10-11-35-12-14-36(15-13-35)23-6-8-24(9-7-23)39-17-16-38-2)25-19-26-31-27(33-37(26)28(30)32-25)22-5-3-4-21(18-22)20-29/h3-9,18-19H,10-17H2,1-2H3,(H2,30,32) | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256301
(2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(CCOC)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C27H36N8O4/c1-36-17-15-34(24-20-25-29-26(23-4-3-16-39-23)31-35(25)27(28)30-24)14-11-32-9-12-33(13-10-32)21-5-7-22(8-6-21)38-19-18-37-2/h3-8,16,20H,9-15,17-19H2,1-2H3,(H2,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256363
(CHEMBL512337 | N7-(cyclopropylmethyl)-2-(furan-2-y...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(CC2CC2)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C28H36N8O3/c1-37-17-18-38-23-8-6-22(7-9-23)34-13-10-33(11-14-34)12-15-35(20-21-4-5-21)25-19-26-30-27(24-3-2-16-39-24)32-36(26)28(29)31-25/h2-3,6-9,16,19,21H,4-5,10-15,17-18,20H2,1H3,(H2,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256298
(CHEMBL473431 | N7-(2-(4-(2,4-difluorophenyl)pipera...)Show SMILES CCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C23H26F2N8O/c1-2-31(10-7-30-8-11-32(12-9-30)18-6-5-16(24)14-17(18)25)20-15-21-27-22(19-4-3-13-34-19)29-33(21)23(26)28-20/h3-6,13-15H,2,7-12H2,1H3,(H2,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152233
(CHEMBL363660 | N*7*-{2-[4-(2,4-Difluoro-phenyl)-pi...)Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C22H24F2N8O/c1-29(6-7-30-8-10-31(11-9-30)17-5-4-15(23)13-16(17)24)19-14-20-26-21(18-3-2-12-33-18)28-32(20)22(25)27-19/h2-5,12-14H,6-11H2,1H3,(H2,25,27) | 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 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50255989
(CHEMBL519271 | N7-(4-fluorophenethyl)-2-(furan-2-y...)Show SMILES COCCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24) | 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 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256147
(7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethylth...)Show SMILES Nc1nc(SCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21F2N7OS/c22-14-3-4-16(15(23)12-14)29-7-5-28(6-8-29)9-11-32-19-13-18-25-20(17-2-1-10-31-17)27-30(18)21(24)26-19/h1-4,10,12-13H,5-9,11H2,(H2,24,26) | 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
| 1.40 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256148
(2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C24H29N7O3S/c1-32-14-15-33-19-6-4-18(5-7-19)30-10-8-29(9-11-30)12-16-35-22-17-21-26-23(20-3-2-13-34-20)28-31(21)24(25)27-22/h2-7,13,17H,8-12,14-16H2,1H3,(H2,25,27) | 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
| 1.5 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152231
(CHEMBL361687 | N*7*-{2-[4-(2,4-Difluoro-phenyl)-pi...)Show SMILES Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H22F2N8O/c22-14-3-4-16(15(23)12-14)30-9-7-29(8-10-30)6-5-25-18-13-19-27-20(17-2-1-11-32-17)28-31(19)21(24)26-18/h1-4,11-13,25H,5-10H2,(H2,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256299
(CHEMBL473439 | N7-ethyl-2-(furan-2-yl)-N7-(2-(4-(4...)Show SMILES CCN(CCN1CCN(CC1)c1ccc(OCCOC)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C26H34N8O3/c1-3-32(23-19-24-28-25(22-5-4-16-37-22)30-34(24)26(27)29-23)13-10-31-11-14-33(15-12-31)20-6-8-21(9-7-20)36-18-17-35-2/h4-9,16,19H,3,10-15,17-18H2,1-2H3,(H2,27,29) | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256019
(2-(furan-2-yl)-7-(4-methoxyphenethylthio)-[1,2,4]t...)Show InChI InChI=1S/C18H17N5O2S/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21) | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50255992
(2-(furan-2-yl)-N7-(4-methoxyphenethyl)-N7-methyl-[...)Show SMILES COc1ccc(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C19H20N6O2/c1-24(10-9-13-5-7-14(26-2)8-6-13)16-12-17-21-18(15-4-3-11-27-15)23-25(17)19(20)22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256417
(3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-...)Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N Show InChI InChI=1S/C25H25F2N9/c1-33(7-8-34-9-11-35(12-10-34)21-6-5-19(26)14-20(21)27)22-15-23-30-24(32-36(23)25(29)31-22)18-4-2-3-17(13-18)16-28/h2-6,13-15H,7-12H2,1H3,(H2,29,31) | 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
| 1.80 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256093
(CHEMBL520286 | N7-(4-fluorophenethyl)-2-(furan-2-y...)Show SMILES CN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H17FN6O/c1-24(9-8-12-4-6-13(19)7-5-12)15-11-16-21-17(14-3-2-10-26-14)23-25(16)18(20)22-15/h2-7,10-11H,8-9H2,1H3,(H2,20,22) | 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 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256202
(2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C25H32N8O3/c1-30(22-18-23-27-24(21-4-3-15-36-21)29-33(23)25(26)28-22)9-10-31-11-13-32(14-12-31)19-5-7-20(8-6-19)35-17-16-34-2/h3-8,15,18H,9-14,16-17H2,1-2H3,(H2,26,28) | 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
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50255990
(2-(furan-2-yl)-7-(4-methoxyphenethoxy)-[1,2,4]tria...)Show InChI InChI=1S/C18H17N5O3/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256146
(2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C24H29N7O4/c1-32-15-16-33-19-6-4-18(5-7-19)30-10-8-29(9-11-30)12-14-35-22-17-21-26-23(20-3-2-13-34-20)28-31(21)24(25)27-22/h2-7,13,17H,8-12,14-16H2,1H3,(H2,25,27) | 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
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256094
(CHEMBL482161 | N7-ethyl-N7-(4-fluorophenethyl)-2-(...)Show SMILES CCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 Show InChI InChI=1S/C19H19FN6O/c1-2-25(10-9-13-5-7-14(20)8-6-13)16-12-17-22-18(15-4-3-11-27-15)24-26(17)19(21)23-16/h3-8,11-12H,2,9-10H2,1H3,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256092
(2-(furan-2-yl)-N7-(3-(4-methoxyphenyl)propyl)-N7-m...)Show SMILES COc1ccc(CCCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C20H22N6O2/c1-25(11-3-5-14-7-9-15(27-2)10-8-14)17-13-18-22-19(16-6-4-12-28-16)24-26(18)20(21)23-17/h4,6-10,12-13H,3,5,11H2,1-2H3,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50255991
(2-(furan-2-yl)-N7-(4-methoxyphenethyl)-[1,2,4]tria...)Show InChI InChI=1S/C18H18N6O2/c1-25-13-6-4-12(5-7-13)8-9-20-15-11-16-22-17(14-3-2-10-26-14)23-24(16)18(19)21-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21) | 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
| 5.80 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256145
(7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethoxy)...)Show SMILES Nc1nc(OCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21F2N7O2/c22-14-3-4-16(15(23)12-14)29-7-5-28(6-8-29)9-11-32-19-13-18-25-20(17-2-1-10-31-17)27-30(18)21(24)26-19/h1-4,10,12-13H,5-9,11H2,(H2,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256201
(2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCNc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 Show InChI InChI=1S/C24H30N8O3/c1-33-15-16-34-19-6-4-18(5-7-19)31-12-10-30(11-13-31)9-8-26-21-17-22-28-23(20-3-2-14-35-20)29-32(22)24(25)27-21/h2-7,14,17,26H,8-13,15-16H2,1H3,(H2,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.5 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256090
(2-(furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,...)Show InChI InChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21) | 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
| 11.5 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256416
(CHEMBL482328 | N7-(2-(4-(4-(2-methoxyethoxy)phenyl...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H34N8O2/c1-32(24-20-25-29-26(21-6-4-3-5-7-21)31-35(25)27(28)30-24)12-13-33-14-16-34(17-15-33)22-8-10-23(11-9-22)37-19-18-36-2/h3-11,20H,12-19H2,1-2H3,(H2,28,30) | 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
| 25 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256364
(2-(5-chlorofuran-2-yl)-7-(2-(4-(4-(2-methoxyethoxy...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccc(Cl)o2)CC1 Show InChI InChI=1S/C24H28ClN7O4/c1-33-14-15-34-18-4-2-17(3-5-18)31-10-8-30(9-11-31)12-13-35-22-16-21-27-23(19-6-7-20(25)36-19)29-32(21)24(26)28-22/h2-7,16H,8-15H2,1H3,(H2,26,28) | 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
| 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50256091
(2-(furan-2-yl)-N7-(4-methoxybenzyl)-N7-methyl-[1,2...)Show SMILES COc1ccc(CN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 Show InChI InChI=1S/C18H18N6O2/c1-23(11-12-5-7-13(25-2)8-6-12)15-10-16-20-17(14-4-3-9-26-14)22-24(16)18(19)21-15/h3-10H,11H2,1-2H3,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | 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
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 967-71 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT |
More data for this
Ligand-Target Pair | |
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