Found 795 hits with Last Name = 'radjainia' and Initial = 'h' 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
(Rattus norvegicus (rat)) | BDBM50494549
(CHEMBL3093327)Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to rat adenosine A1 receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50494549
(CHEMBL3093327)Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2A receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to rat adenosine A2A receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50037429
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Antagonist activity at rat adenosine A2A receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50534182
(CHEMBL4554778)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50534190
(CHEMBL4582207)Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50534179
(CHEMBL4483392)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534182
(CHEMBL4554778)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-8-7-26(10-15(27)23-17)9-14-11-30-18(22-14)12-3-5-13(21)6-4-12/h3-6,11H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534166
(CHEMBL4560229)Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from rat A1 receptor by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50037429
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of MAO-B (unknown origin) |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534172
(CHEMBL4451303)Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C20H23N5O2/c1-22-18-17(19(26)23(2)20(22)27)25-11-10-24(12-16(25)21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,15H,5,7,9-12H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50494595
(CHEMBL3093323)Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H25N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,14H,4-13H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494585
(CHEMBL3093315)Show InChI InChI=1S/C17H17N5O2S/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h1,4,6,10H,5,7-9,11H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50534174
(CHEMBL4540395)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494555
(CHEMBL3093310)Show SMILES Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H19N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,4-6,8-9H,7,10-13H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534162
(CHEMBL4556578)Show SMILES Cn1c2nc3CN(CCc4ccc(Cl)cc4C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H19ClF3N5O2/c1-25-16-15(17(29)26(2)18(25)30)28-8-7-27(10-14(28)24-16)6-5-11-3-4-12(20)9-13(11)19(21,22)23/h3-4,9H,5-8,10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494548
(CHEMBL3093328)Show InChI InChI=1S/C16H16FN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-9-3-8-21(15(22)18-13)11-6-4-10(17)5-7-11/h4-7H,3,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to rat adenosine A2A receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494548
(CHEMBL3093328)Show InChI InChI=1S/C16H16FN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-9-3-8-21(15(22)18-13)11-6-4-10(17)5-7-11/h4-7H,3,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534175
(CHEMBL4549506)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50534179
(CHEMBL4483392)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H19ClN6O2S/c1-24-17-16(19(28)25(2)20(24)29)27-7-6-26(10-15(27)23-17)9-14-11-30-18(22-14)12-4-3-5-13(21)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494580
(CHEMBL3093237)Show SMILES Cn1c2nc3N(Cc4cc(Cl)cc(Cl)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17Cl2N5O2/c1-21-14-13(15(25)22(2)17(21)26)24-5-3-4-23(16(24)20-14)9-10-6-11(18)8-12(19)7-10/h6-8H,3-5,9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50534174
(CHEMBL4540395)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494567
(CHEMBL3093238)Show SMILES Cn1c2nc3N(CCc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-9-4-8-23(17(24)20-15)10-7-12-5-3-6-13(19)11-12/h3,5-6,11H,4,7-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494563
(CHEMBL3093322)Show InChI InChI=1S/C17H21N5O3/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h1,12H,4-11H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50494549
(CHEMBL3093327)Show SMILES [H][C@@]12C[C@@]3([H])C[C@]([H])(C[C@]3(C1)c1nc3n(C)c(=O)n(C)c(=O)c3[nH]1)C2 |r,wD:9.12,6.6,3.3,1.0,TLB:5:6:10:2.3,THB:5:3:10:24.6.8,(14.09,-14.42,;12.36,-15.15,;12.34,-13.62,;10.87,-13.16,;12.72,-13.48,;13.43,-13.25,;13.03,-14.75,;14.92,-14.74,;11.3,-15.18,;9.98,-14.41,;10.9,-15.65,;8.44,-14.44,;7.53,-15.7,;6.07,-15.24,;4.75,-16.03,;4.75,-17.57,;3.4,-15.27,;2.07,-16.06,;3.39,-13.73,;2.04,-12.98,;4.71,-12.95,;4.68,-11.41,;6.05,-13.7,;7.5,-13.21,;13.44,-16.24,)| Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)/t8-,9-,10-,16+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2B receptor |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50534174
(CHEMBL4540395)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4cccs4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H18N6O2S2/c1-21-15-14(17(25)22(2)18(21)26)24-6-5-23(9-13(24)20-15)8-11-10-28-16(19-11)12-4-3-7-27-12/h3-4,7,10H,5-6,8-9H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from human A2A receptor measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50534175
(CHEMBL4549506)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from human A2A receptor measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494595
(CHEMBL3093323)Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H25N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,14H,4-13H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494577
(CHEMBL3093312)Show SMILES COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)c1 Show InChI InChI=1S/C20H21N5O3/c1-4-9-25-18(26)16-17(22(2)20(25)27)21-19-23(10-6-11-24(16)19)13-14-7-5-8-15(12-14)28-3/h1,5,7-8,12H,6,9-11,13H2,2-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 227 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50494583
(CHEMBL3093332)Show SMILES COc1cc(OC)cc(c1)N1CCCn2c1nc1n(C)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H21N5O4/c1-5-7-25-18(26)16-17(22(2)20(25)27)21-19-23(8-6-9-24(16)19)13-10-14(28-3)12-15(11-13)29-4/h1,10-12H,6-9H2,2-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50534190
(CHEMBL4582207)Show SMILES Cn1c2nc3CN(CCCc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C19H22ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-11-10-24(12-15(25)21-17)9-3-4-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX from human A2A receptor measured after 30 mins by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50494570
(CHEMBL3091482)Show InChI InChI=1S/C16H19N5O2/c1-3-8-21-14(22)12-13(18(2)16(21)23)17-15-19(11-6-4-7-11)9-5-10-20(12)15/h1,11H,4-10H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50534175
(CHEMBL4549506)Show SMILES Cn1c2nc3CN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H19F3N6O2S/c1-27-17-16(19(31)28(2)20(27)32)30-8-7-29(10-15(30)26-17)9-14-11-33-18(25-14)12-3-5-13(6-4-12)21(22,23)24/h3-6,11H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50494555
(CHEMBL3093310)Show SMILES Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H19N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,4-6,8-9H,7,10-13H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50494555
(CHEMBL3093310)Show SMILES Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C19H19N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,4-6,8-9H,7,10-13H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 253 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494585
(CHEMBL3093315)Show InChI InChI=1S/C17H17N5O2S/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h1,4,6,10H,5,7-9,11H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50534166
(CHEMBL4560229)Show InChI InChI=1S/C17H19N5O2/c1-19-15-14(16(23)20(2)17(19)24)22-9-8-21(11-13(22)18-15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494573
(CHEMBL3093317)Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC#C)c1=O Show InChI InChI=1S/C20H21N5O3/c1-3-10-25-18(27)16-17(22(2)20(25)28)21-19-23(11-4-12-24(16)19)13-9-14-5-7-15(26)8-6-14/h1,5-8,26H,4,9-13H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 276 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50494552
(CHEMBL3093331)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)c1cccc(Br)c1 Show InChI InChI=1S/C18H16BrN5O2/c1-3-8-24-16(25)14-15(21(2)18(24)26)20-17-22(9-5-10-23(14)17)13-7-4-6-12(19)11-13/h1,4,6-7,11H,5,8-10H2,2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 284 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50494598
(CHEMBL3093318)Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(CC#C)c(=O)c32)cc1 Show InChI InChI=1S/C21H23N5O3/c1-4-11-26-19(27)17-18(23(2)21(26)28)22-20-24(12-5-13-25(17)20)14-10-15-6-8-16(29-3)9-7-15/h1,6-9H,5,10-14H2,2-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50534159
(CHEMBL4574304)Show SMILES Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCc2ccccc12 Show InChI InChI=1S/C19H21N5O2/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(11-15(24)20-17)14-8-7-12-5-3-4-6-13(12)14/h3-6,14H,7-11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50534202
(CHEMBL4450570)Show SMILES Cn1c2nc3CN(CCc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-16-15(17(25)22(2)18(21)26)24-9-8-23(11-14(24)20-16)7-6-12-4-3-5-13(19)10-12/h3-5,10H,6-9,11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50534176
(CHEMBL4447494)Show InChI InChI=1S/C12H14N6O2/c1-15-10-9(11(19)16(2)12(15)20)18-6-5-17(4-3-13)7-8(18)14-10/h4-7H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50534199
(CHEMBL4534266)Show InChI InChI=1S/C16H19N5O2S/c1-18-14-13(15(22)19(2)16(18)23)21-8-7-20(10-12(21)17-14)6-5-11-4-3-9-24-11/h3-4,9H,5-8,10H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB7836 |
More data for this Ligand-Target Pair | |