Found 1607 hits with Last Name = 'miralpeix' and Initial = 'm' 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 |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | PDB
Reactome pathway
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | PDB
Reactome pathway
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | UniProtKB/SwissProt
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | UniProtKB/SwissProt
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296331
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)| Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296329
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(2-phe...)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)| Show InChI InChI=1S/C25H28NO3S2/c27-24(25(28,22-8-4-16-30-22)23-9-5-17-31-23)29-21-18-26(14-11-20(21)12-15-26)13-10-19-6-2-1-3-7-19/h1-9,16-17,20-21,28H,10-15,18H2/q+1/t20?,21-,26?/m0/s1 | PDB
Reactome pathway
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296336
((3R)-3-{[(2S)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl...)Show SMILES O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)| Show InChI InChI=1S/C27H36NO4S/c29-26(27(30,22-8-4-5-9-22)25-12-6-19-33-25)32-24-20-28(16-13-21(24)14-17-28)15-7-18-31-23-10-2-1-3-11-23/h1-3,6,10-12,19,21-22,24,30H,4-5,7-9,13-18,20H2/q+1/t21?,24-,27+,28?/m0/s1 | UniProtKB/SwissProt
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | UniProtKB/SwissProt
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336996
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M3 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M2 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50378083
(Atrovent HFA | IPRATROPIUM BROMIDE)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Binding affinity to muscarinic M1 receptor |
J Med Chem 52: 5076-92 (2010)
Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336982
(CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336990
(CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336988
(2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...)Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB
Reactome pathway
KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB
Reactome pathway
KEGG
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336994
(CHEMBL1672626 | N-[6-(2-Furyl)-5-pyrimidin-4-ylpyr...)Show InChI InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336993
(CHEMBL1672625 | N-[6-(1,3-Oxazol-5-yl)-5-pyridin-4...)Show InChI InChI=1S/C16H13N5O2/c22-16(11-1-2-11)21-13-8-19-14(10-3-5-17-6-4-10)15(20-13)12-7-18-9-23-12/h3-9,11H,1-2H2,(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336992
(CHEMBL1672624 | N-(6-(oxazol-2-yl)-5-(pyridin-4-yl...)Show InChI InChI=1S/C16H13N5O2/c22-15(11-1-2-11)21-12-9-19-13(10-3-5-17-6-4-10)14(20-12)16-18-7-8-23-16/h3-9,11H,1-2H2,(H,20,21,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336987
(4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl...)Show SMILES Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H13FN4O2/c21-15-5-3-14(4-6-15)20(26)25-17-12-23-18(13-7-9-22-10-8-13)19(24-17)16-2-1-11-27-16/h1-12H,(H,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336995
(CHEMBL1672628 | N-[5-(3-Chloropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14ClN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336988
(2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...)Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) | PDB
Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this
Ligand-Target Pair | |
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