Found 47 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327343
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327327
(2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazo...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O3/c1-15-6-4-5-7-22(15)29-24(23(16(2)28-29)17-8-10-18(26)11-9-17)27-21-13-12-19(32-3)14-20(21)25(30)31/h4-14,27H,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.39 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327337
(5-methoxy-2-(3-methyl-1-phenyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H21N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h3-15,29H,1-2H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327325
(5-methoxy-2-(3-methyl-1-o-tolyl-4-p-tolyl-1H-pyraz...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)cc2)c(c1)C(O)=O Show InChI InChI=1S/C26H25N3O3/c1-16-9-11-19(12-10-16)24-18(3)28-29(23-8-6-5-7-17(23)2)25(24)27-22-14-13-20(32-4)15-21(22)26(30)31/h5-15,27H,1-4H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327333
(5-methoxy-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-toly...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H23N5O3/c1-16-6-4-5-7-24(16)32-26(30-21-11-9-19(35-3)15-20(21)27(33)34)25(17(2)31-32)18-8-10-22-23(14-18)29-13-12-28-22/h4-15,30H,1-3H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327335
(5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327339
(2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...)Show SMILES CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C28H25N5O3/c1-4-18-7-5-6-8-25(18)33-27(31-22-12-10-20(36-3)16-21(22)28(34)35)26(17(2)32-33)19-9-11-23-24(15-19)30-14-13-29-23/h5-16,31H,4H2,1-3H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327323
(2-(1-(2-chlorophenyl)-3-methyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H20ClN5O3/c1-15-24(16-7-9-21-22(13-16)29-12-11-28-21)25(32(31-15)23-6-4-3-5-19(23)27)30-20-10-8-17(35-2)14-18(20)26(33)34/h3-14,30H,1-2H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327336
(2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyraz...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H21N5O2/c1-16-7-3-6-10-23(16)31-25(29-20-9-5-4-8-19(20)26(32)33)24(17(2)30-31)18-11-12-21-22(15-18)28-14-13-27-21/h3-15,29H,1-2H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327340
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-3-(trifluoromethy...)Show SMILES Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F Show InChI InChI=1S/C26H18F3N5O2/c1-15-6-2-5-9-21(15)34-24(32-18-8-4-3-7-17(18)25(35)36)22(23(33-34)26(27,28)29)16-10-11-19-20(14-16)31-13-12-30-19/h2-14,32H,1H3,(H,35,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327341
(2-(3-ethyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazo...)Show SMILES CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-3-20-25(18-12-13-22-23(16-18)29-15-14-28-22)26(30-21-10-6-5-9-19(21)27(33)34)32(31-20)24-11-7-4-8-17(24)2/h4-16,30H,3H2,1-2H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327334
(5-chloro-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20ClN5O2/c1-15-5-3-4-6-23(15)32-25(30-20-10-8-18(27)14-19(20)26(33)34)24(16(2)31-32)17-7-9-21-22(13-17)29-12-11-28-21/h3-14,30H,1-2H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327332
(2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methy...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCCOc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H25N3O5/c1-16-6-4-5-7-22(16)30-26(28-21-10-9-19(33-3)15-20(21)27(31)32)25(17(2)29-30)18-8-11-23-24(14-18)35-13-12-34-23/h4-11,14-15,28H,12-13H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327324
(2-(4-(4-acetylphenyl)-3-methyl-1-o-tolyl-1H-pyrazo...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(cc2)C(C)=O)c(c1)C(O)=O Show InChI InChI=1S/C27H25N3O4/c1-16-7-5-6-8-24(16)30-26(28-23-14-13-21(34-4)15-22(23)27(32)33)25(17(2)29-30)20-11-9-19(10-12-20)18(3)31/h5-15,28H,1-4H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327331
(2-(4-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-o-tolyl...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCOc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H23N3O5/c1-15-6-4-5-7-21(15)29-25(27-20-10-9-18(32-3)13-19(20)26(30)31)24(16(2)28-29)17-8-11-22-23(12-17)34-14-33-22/h4-13,27H,14H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327330
(2-(4-(3,4-dimethoxyphenyl)-3-methyl-1-o-tolyl-1H-p...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(OC)c(OC)c2)c(c1)C(O)=O Show InChI InChI=1S/C27H27N3O5/c1-16-8-6-7-9-22(16)30-26(28-21-12-11-19(33-3)15-20(21)27(31)32)25(17(2)29-30)18-10-13-23(34-4)24(14-18)35-5/h6-15,28H,1-5H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327342
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylam...)Show SMILES Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H19N5O2/c1-16-6-2-5-9-23(16)30-24(29-20-8-4-3-7-18(20)25(31)32)19(15-28-30)17-10-11-21-22(14-17)27-13-12-26-21/h2-15,29H,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327328
(2-(4-(3,4-difluorophenyl)-3-methyl-1-o-tolyl-1H-py...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)c(F)c2)c(c1)C(O)=O Show InChI InChI=1S/C25H21F2N3O3/c1-14-6-4-5-7-22(14)30-24(28-21-11-9-17(33-3)13-18(21)25(31)32)23(15(2)29-30)16-8-10-19(26)20(27)12-16/h4-13,28H,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327329
(5-methoxy-2-(4-(4-methoxyphenyl)-3-methyl-1-o-toly...)Show SMILES COc1ccc(cc1)-c1c(C)nn(c1Nc1ccc(OC)cc1C(O)=O)-c1ccccc1C Show InChI InChI=1S/C26H25N3O4/c1-16-7-5-6-8-23(16)29-25(27-22-14-13-20(33-4)15-21(22)26(30)31)24(17(2)28-29)18-9-11-19(32-3)12-10-18/h5-15,27H,1-4H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 306 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327338
(2-(1-cyclohexyl-3-methyl-4-(quinoxalin-6-yl)-1H-py...)Show SMILES COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H27N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h8-15,18,29H,3-7H2,1-2H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 435 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50327326
(2-(4-(3,4-dimethylphenyl)-3-methyl-1-o-tolyl-1H-py...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(C)c(C)c2)c(c1)C(O)=O Show InChI InChI=1S/C27H27N3O3/c1-16-10-11-20(14-18(16)3)25-19(4)29-30(24-9-7-6-8-17(24)2)26(25)28-23-13-12-21(33-5)15-22(23)27(31)32/h6-15,28H,1-5H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 568 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327337
(5-methoxy-2-(3-methyl-1-phenyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H21N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h3-15,29H,1-2H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327337
(5-methoxy-2-(3-methyl-1-phenyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H21N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h3-15,29H,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50327343
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A3 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50327333
(5-methoxy-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-toly...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H23N5O3/c1-16-6-4-5-7-24(16)32-26(30-21-11-9-19(35-3)15-20(21)27(33)34)25(17(2)31-32)18-8-10-22-23(14-18)29-13-12-28-22/h4-15,30H,1-3H3,(H,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A3 receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327340
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-3-(trifluoromethy...)Show SMILES Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F Show InChI InChI=1S/C26H18F3N5O2/c1-15-6-2-5-9-21(15)34-24(32-18-8-4-3-7-17(18)25(35)36)22(23(33-34)26(27,28)29)16-10-11-19-20(14-16)31-13-12-30-19/h2-14,32H,1H3,(H,35,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327342
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylam...)Show SMILES Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H19N5O2/c1-16-6-2-5-9-23(16)30-24(29-20-8-4-3-7-18(20)25(31)32)19(15-28-30)17-10-11-21-22(14-17)27-13-12-26-21/h2-15,29H,1H3,(H,31,32) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327335
(5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327343
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327342
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylam...)Show SMILES Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H19N5O2/c1-16-6-2-5-9-23(16)30-24(29-20-8-4-3-7-18(20)25(31)32)19(15-28-30)17-10-11-21-22(14-17)27-13-12-26-21/h2-15,29H,1H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327338
(2-(1-cyclohexyl-3-methyl-4-(quinoxalin-6-yl)-1H-py...)Show SMILES COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H27N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h8-15,18,29H,3-7H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327333
(5-methoxy-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-toly...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H23N5O3/c1-16-6-4-5-7-24(16)32-26(30-21-11-9-19(35-3)15-20(21)27(33)34)25(17(2)31-32)18-8-10-22-23(14-18)29-13-12-28-22/h4-15,30H,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327341
(2-(3-ethyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazo...)Show SMILES CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-3-20-25(18-12-13-22-23(16-18)29-15-14-28-22)26(30-21-10-6-5-9-19(21)27(33)34)32(31-20)24-11-7-4-8-17(24)2/h4-16,30H,3H2,1-2H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327338
(2-(1-cyclohexyl-3-methyl-4-(quinoxalin-6-yl)-1H-py...)Show SMILES COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H27N5O3/c1-16-24(17-8-10-22-23(14-17)28-13-12-27-22)25(31(30-16)18-6-4-3-5-7-18)29-21-11-9-19(34-2)15-20(21)26(32)33/h8-15,18,29H,3-7H2,1-2H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327339
(2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...)Show SMILES CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C28H25N5O3/c1-4-18-7-5-6-8-25(18)33-27(31-22-12-10-20(36-3)16-21(22)28(34)35)26(17(2)32-33)19-9-11-23-24(15-19)30-14-13-29-23/h5-16,31H,4H2,1-3H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327343
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327339
(2-(1-(2-ethylphenyl)-3-methyl-4-(quinoxalin-6-yl)-...)Show SMILES CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1 Show InChI InChI=1S/C28H25N5O3/c1-4-18-7-5-6-8-25(18)33-27(31-22-12-10-20(36-3)16-21(22)28(34)35)26(17(2)32-33)19-9-11-23-24(15-19)30-14-13-29-23/h5-16,31H,4H2,1-3H3,(H,34,35) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327336
(2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyraz...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H21N5O2/c1-16-7-3-6-10-23(16)31-25(29-20-9-5-4-8-19(20)26(32)33)24(17(2)30-31)18-11-12-21-22(15-18)28-14-13-27-21/h3-15,29H,1-2H3,(H,32,33) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327336
(2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyraz...)Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H21N5O2/c1-16-7-3-6-10-23(16)31-25(29-20-9-5-4-8-19(20)26(32)33)24(17(2)30-31)18-11-12-21-22(15-18)28-14-13-27-21/h3-15,29H,1-2H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327333
(5-methoxy-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-toly...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H23N5O3/c1-16-6-4-5-7-24(16)32-26(30-21-11-9-19(35-3)15-20(21)27(33)34)25(17(2)31-32)18-8-10-22-23(14-18)29-13-12-28-22/h4-15,30H,1-3H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327323
(2-(1-(2-chlorophenyl)-3-methyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H20ClN5O3/c1-15-24(16-7-9-21-22(13-16)29-12-11-28-21)25(32(31-15)23-6-4-3-5-19(23)27)30-20-10-8-17(35-2)14-18(20)26(33)34/h3-14,30H,1-2H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327335
(5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50327334
(5-chloro-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20ClN5O2/c1-15-5-3-4-6-23(15)32-25(30-20-10-8-18(27)14-19(20)26(33)34)24(16(2)31-32)17-7-9-21-22(13-17)29-12-11-28-21/h3-14,30H,1-2H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327340
(2-(4-(quinoxalin-6-yl)-1-o-tolyl-3-(trifluoromethy...)Show SMILES Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F Show InChI InChI=1S/C26H18F3N5O2/c1-15-6-2-5-9-21(15)34-24(32-18-8-4-3-7-17(18)25(35)36)22(23(33-34)26(27,28)29)16-10-11-19-20(14-16)31-13-12-30-19/h2-14,32H,1H3,(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327334
(5-chloro-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...)Show SMILES Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20ClN5O2/c1-15-5-3-4-6-23(15)32-25(30-20-10-8-18(27)14-19(20)26(33)34)24(16(2)31-32)17-7-9-21-22(13-17)29-12-11-28-21/h3-14,30H,1-2H3,(H,33,34) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327323
(2-(1-(2-chlorophenyl)-3-methyl-4-(quinoxalin-6-yl)...)Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H20ClN5O3/c1-15-24(16-7-9-21-22(13-16)29-12-11-28-21)25(32(31-15)23-6-4-3-5-19(23)27)30-20-10-8-17(35-2)14-18(20)26(33)34/h3-14,30H,1-2H3,(H,33,34) | 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
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50327341
(2-(3-ethyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazo...)Show SMILES CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-3-20-25(18-12-13-22-23(16-18)29-15-14-28-22)26(30-21-10-6-5-9-19(21)27(33)34)32(31-20)24-11-7-4-8-17(24)2/h4-16,30H,3H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Schering Pharma AG
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2A receptor by cAMP assay |
Bioorg Med Chem Lett 20: 5891-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8 |
More data for this
Ligand-Target Pair | |
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