Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50022603 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)) | BDBM50237067
(CHEMBL429125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237078
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237083
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237083
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237065
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237082
(CHEMBL404863 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237078
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237075
(CHEMBL253317 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237064
(CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237094
(CHEMBL256332 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237076
(CHEMBL256331 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237084
(CHEMBL403846 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50232154
(CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...)Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) | 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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237065
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237072
(CHEMBL253528 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-13-9-18(10-14(2)24-13)31-12-22(30)25-20-11-21(29-16(4)8-15(3)28-29)27-23(26-20)19-7-6-17(5)32-19/h6-11H,12H2,1-5H3,(H,25,26,27,30) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237068
(CHEMBL429850 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1 Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)22-9-7-18(3)36-22)27-25(33)15-35-21-10-8-20(34-6)12-19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237085
(CHEMBL256547 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-10-18(3)34-21)26-24(32)15-33-20-9-7-6-8-19(20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237088
(CHEMBL256548 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C26H30N6O3/c1-16-7-9-21(20(11-16)14-31(5)6)34-15-25(33)27-23-13-24(32-18(3)12-17(2)30-32)29-26(28-23)22-10-8-19(4)35-22/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237095
(CHEMBL256125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H30N6O4/c1-18-13-19(2)33(31-18)25-15-24(29-27(30-25)23-8-7-20(3)37-23)28-26(34)17-36-22-6-4-5-21(14-22)16-32-9-11-35-12-10-32/h4-8,13-15H,9-12,16-17H2,1-3H3,(H,28,29,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237074
(CHEMBL256755 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C28H32N6O4/c1-19-16-20(2)34(32-19)26-17-25(30-28(31-26)24-9-8-21(3)38-24)29-27(35)18-37-23-7-5-4-6-22(23)10-11-33-12-14-36-15-13-33/h4-9,16-17H,10-15,18H2,1-3H3,(H,29,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237086
(CHEMBL256327 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237090
(2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-...)Show SMILES O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1 Show InChI InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237093
(CHEMBL256546 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C28H32N6O4/c1-19-15-20(2)34(32-19)26-17-25(30-28(31-26)24-8-7-21(3)38-24)29-27(35)18-37-23-6-4-5-22(16-23)9-10-33-11-13-36-14-12-33/h4-8,15-17H,9-14,18H2,1-3H3,(H,29,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237081
(2-(3-fluorophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol...)Show SMILES Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1 Show InChI InChI=1S/C20H14FN5O2S/c21-13-4-3-5-14(10-13)28-12-18(27)25-17-11-16(20-23-8-9-29-20)24-19(26-17)15-6-1-2-7-22-15/h1-11H,12H2,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237087
(CHEMBL255267 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H20FN5O3/c1-13-9-14(2)28(27-13)20-11-19(25-22(26-20)18-8-7-15(3)31-18)24-21(29)12-30-17-6-4-5-16(23)10-17/h4-11H,12H2,1-3H3,(H,24,25,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237071
(CHEMBL404864 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237092
(CHEMBL402781 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)23-13-22(28-26(29-23)21-11-10-18(3)36-21)27-24(33)15-35-25-19(14-31(4)5)8-7-9-20(25)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | 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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237079
(2-(3-cyanophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(th...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H15N5O3S/c1-13-5-6-17(29-13)20-24-16(21-23-7-8-30-21)10-18(26-20)25-19(27)12-28-15-4-2-3-14(9-15)11-22/h2-10H,12H2,1H3,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237073
(CHEMBL255649 | N-(2-(5-methylfuran-2-yl)-6-(thiazo...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1 Show InChI InChI=1S/C20H16N4O3S/c1-13-7-8-16(27-13)19-22-15(20-21-9-10-28-20)11-17(24-19)23-18(25)12-26-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237070
(2-(2-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(t...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1 Show InChI InChI=1S/C20H15FN4O3S/c1-12-6-7-16(28-12)19-23-14(20-22-8-9-29-20)10-17(25-19)24-18(26)11-27-15-5-3-2-4-13(15)21/h2-10H,11H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50232154
(CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...)Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A1 receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50237064
(CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of rat adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237091
(2-(3-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(t...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1 Show InChI InChI=1S/C20H15FN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237077
(2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(t...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1 Show InChI InChI=1S/C20H15ClN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237069
(3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(th...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H17FN4O2S/c1-13-6-8-17(28-13)20-24-16(21-23-10-11-29-21)12-18(26-20)25-19(27)9-7-14-4-2-3-5-15(14)22/h2-6,8,10-12H,7,9H2,1H3,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at adenosine A2A receptor |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50237080
(CHEMBL404744 | N-(2-(5-methylfuran-2-yl)-6-(thiazo...)Show SMILES Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1 Show InChI InChI=1S/C21H18N4O3S/c1-13-3-6-15(7-4-13)27-12-19(26)24-18-11-16(21-22-9-10-29-21)23-20(25-18)17-8-5-14(2)28-17/h3-11H,12H2,1-2H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237064
(CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237083
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237078
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237065
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237084
(CHEMBL403846 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237090
(2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-...)Show SMILES O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1 Show InChI InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237071
(CHEMBL404864 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237067
(CHEMBL429125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237082
(CHEMBL404863 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237094
(CHEMBL256332 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237076
(CHEMBL256331 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 Show InChI InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237075
(CHEMBL253317 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50237081
(2-(3-fluorophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol...)Show SMILES Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1 Show InChI InChI=1S/C20H14FN5O2S/c21-13-4-3-5-14(10-13)28-12-18(27)25-17-11-16(20-23-8-9-29-20)24-19(26-17)15-6-1-2-7-22-15/h1-11H,12H2,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50237074
(CHEMBL256755 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C28H32N6O4/c1-19-16-20(2)34(32-19)26-17-25(30-28(31-26)24-9-8-21(3)38-24)29-27(35)18-37-23-7-5-4-6-22(23)10-11-33-12-14-36-15-13-33/h4-9,16-17H,10-15,18H2,1-3H3,(H,29,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity at human ERG |
Bioorg Med Chem Lett 18: 1778-83 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62 |
More data for this
Ligand-Target Pair | |
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