Found 48 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
(BOVINE) | BDBM50196014
(3-(2-(trifluoromethyl)benzyl)-N-cyclopentyl-5-phen...)Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H21F3N6/c24-23(25,26)18-13-7-4-10-16(18)14-32-22-19(30-31-32)21(27-17-11-5-6-12-17)28-20(29-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,27,28,29) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196002
(3-(2-fluorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...)Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H23FN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27) | PDB
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PC cid
PC sid
UniChem
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PubMed
| 1.15E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412199
(CHEMBL451742)Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H24N6/c1-4-10-17(11-5-1)16-29-23-20(27-28-29)22(24-19-14-8-3-9-15-19)25-21(26-23)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H,24,25,26) | PDB
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PC cid
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PubMed
| 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412196
(CHEMBL452257)Show SMILES OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 |(.4,-38.89,;-.93,-39.67,;-.94,-41.21,;-2.26,-41.98,;-3.6,-41.22,;-3.61,-39.67,;-2.27,-38.9,;-4.93,-41.99,;-4.92,-43.53,;-6.25,-44.3,;-6.25,-45.85,;-4.92,-46.62,;-3.58,-45.85,;-2.11,-46.32,;-1.63,-47.79,;-2.66,-48.93,;-4.16,-48.61,;-5.19,-49.75,;-4.71,-51.22,;-3.2,-51.53,;-2.18,-50.39,;-.67,-50.7,;-1.19,-45.07,;-2.11,-43.81,;-3.58,-44.29,;-7.58,-46.61,;-8.91,-45.84,;-10.25,-46.6,;-10.25,-48.14,;-8.91,-48.92,;-7.58,-48.14,)| Show InChI InChI=1S/C23H23FN6O/c24-19-9-5-4-8-16(19)14-30-23-20(28-29-30)22(25-17-10-12-18(31)13-11-17)26-21(27-23)15-6-2-1-3-7-15/h1-9,17-18,31H,10-14H2,(H,25,26,27) | PDB
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PubMed
| 1.85E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412198
(CHEMBL451744)Show SMILES OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |(.62,-38.83,;-.71,-39.6,;-.71,-41.14,;-2.04,-41.91,;-3.38,-41.15,;-3.39,-39.61,;-2.05,-38.84,;-4.71,-41.93,;-4.7,-43.47,;-6.02,-44.24,;-6.03,-45.78,;-4.7,-46.55,;-3.36,-45.78,;-1.88,-46.26,;-1.41,-47.73,;-2.44,-48.87,;-3.94,-48.55,;-4.97,-49.69,;-4.49,-51.15,;-2.98,-51.47,;-1.95,-50.32,;-.97,-45.01,;-1.88,-43.75,;-3.36,-44.23,;-7.36,-46.55,;-8.69,-45.77,;-10.02,-46.54,;-10.03,-48.08,;-8.68,-48.85,;-7.36,-48.08,)| Show InChI InChI=1S/C23H24N6O/c30-19-13-11-18(12-14-19)24-22-20-23(26-21(25-22)17-9-5-2-6-10-17)29(28-27-20)15-16-7-3-1-4-8-16/h1-10,18-19,30H,11-15H2,(H,24,25,26) | PDB
Reactome pathway
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PC cid
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UniChem
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PubMed
| 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412197
(CHEMBL452011)Show SMILES OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 |(.47,-38.63,;-.87,-39.41,;-.87,-40.95,;-2.19,-41.72,;-3.53,-40.96,;-3.54,-39.41,;-2.2,-38.64,;-4.86,-41.73,;-4.86,-43.27,;-6.18,-44.04,;-6.18,-45.59,;-4.85,-46.36,;-3.51,-45.59,;-2.04,-46.07,;-1.56,-47.53,;-2.59,-48.67,;-4.09,-48.35,;-5.12,-49.49,;-4.65,-50.96,;-3.13,-51.27,;-2.11,-50.13,;-.6,-50.44,;-1.13,-44.81,;-2.04,-43.55,;-3.51,-44.03,;-7.51,-46.35,;-8.84,-45.58,;-10.18,-46.34,;-10.18,-47.88,;-8.84,-48.66,;-7.51,-47.88,)| Show InChI InChI=1S/C23H23ClN6O/c24-19-9-5-4-8-16(19)14-30-23-20(28-29-30)22(25-17-10-12-18(31)13-11-17)26-21(27-23)15-6-2-1-3-7-15/h1-9,17-18,31H,10-14H2,(H,25,26,27) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195990
(3-(2-fluorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...)Show InChI InChI=1S/C20H19FN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24) | PDB
Reactome pathway
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50242664
(CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.24E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195996
(3-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show InChI InChI=1S/C20H19FN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196018
(3-(2-fluorobenzyl)-N-butyl-5-phenyl-3H-[1,2,3]tria...)Show InChI InChI=1S/C21H21FN6/c1-2-3-13-23-20-18-21(25-19(24-20)15-9-5-4-6-10-15)28(27-26-18)14-16-11-7-8-12-17(16)22/h4-12H,2-3,13-14H2,1H3,(H,23,24,25) | PDB
Reactome pathway
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PC cid
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UniChem
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PubMed
| 4.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195995
(1-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19FN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195992
(3-benzyl-N-cyclobutyl-5-phenyl-3H-[1,2,3]triazolo[...)Show SMILES C(c1ccccc1)n1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H20N6/c1-3-8-15(9-4-1)14-27-21-18(25-26-27)20(22-17-12-7-13-17)23-19(24-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,23,24) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196015
(3-(2-(trifluoromethyl)benzyl)-N-butyl-5-phenyl-3H-...)Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C22H21F3N6/c1-2-3-13-26-20-18-21(28-19(27-20)15-9-5-4-6-10-15)31(30-29-18)14-16-11-7-8-12-17(16)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,27,28) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196003
(3-(2-fluorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...)Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21FN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
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PubMed
| 6.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196030
(3-(2-(trifluoromethyl)benzyl)-N-cyclohexyl-5-pheny...)Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C24H23F3N6/c25-24(26,27)19-14-8-7-11-17(19)15-33-23-20(31-32-33)22(28-18-12-5-2-6-13-18)29-21(30-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,28,29,30) | PDB
Reactome pathway
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UniChem
Similars
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PubMed
| 6.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195999
(1-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...)Show InChI InChI=1S/C20H20N6O/c1-14(27)12-21-19-17-20(23-18(22-19)16-10-6-3-7-11-16)26(25-24-17)13-15-8-4-2-5-9-15/h2-11,14,27H,12-13H2,1H3,(H,21,22,23) | PDB
Reactome pathway
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UniChem
Similars
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PubMed
| 7.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196020
(3-(2-(trifluoromethyl)benzyl)-N-cyclopropyl-5-phen...)Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H17F3N6/c22-21(23,24)16-9-5-4-8-14(16)12-30-20-17(28-29-30)19(25-15-10-11-15)26-18(27-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,25,26,27) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196011
(3-(2-chlorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...)Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21ClN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
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PubMed
| 9.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412200
(CHEMBL486036)Show SMILES O[C@H]1CCCC[C@@H]1Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 |r| Show InChI InChI=1S/C23H24N6O/c30-19-14-8-7-13-18(19)24-22-20-23(26-21(25-22)17-11-5-2-6-12-17)29(28-27-20)15-16-9-3-1-4-10-16/h1-6,9-12,18-19,30H,7-8,13-15H2,(H,24,25,26)/t18-,19-/m0/s1 | PDB
Reactome pathway
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PC cid
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UniChem
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PubMed
| 1.03E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196022
(3-benzyl-N-cyclopentyl-5-phenyl-3H-[1,2,3]triazolo...)Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H22N6/c1-3-9-16(10-4-1)15-28-22-19(26-27-28)21(23-18-13-7-8-14-18)24-20(25-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,24,25) | PDB
Reactome pathway
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UniProtKB/SwissProt
GoogleScholar
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PC cid
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UniChem
Similars
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PubMed
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196010
(3-(2-fluorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...)Show InChI InChI=1S/C19H17FN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23) | PDB
Reactome pathway
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UniProtKB/SwissProt
GoogleScholar
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PC cid
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UniChem
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PubMed
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195994
(3-benzyl-N-cyclopropyl-5-phenyl-3H-[1,2,3]triazolo...)Show SMILES C(c1ccccc1)n1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C20H18N6/c1-3-7-14(8-4-1)13-26-20-17(24-25-26)19(21-16-11-12-16)22-18(23-20)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
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PubMed
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196012
(3-benzyl-N-butyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...)Show InChI InChI=1S/C21H22N6/c1-2-3-14-22-20-18-21(24-19(23-20)17-12-8-5-9-13-17)27(26-25-18)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,22,23,24) | PDB
Reactome pathway
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GoogleScholar
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PC cid
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UniChem
Similars
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PubMed
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195997
(3-(2-chlorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...)Show SMILES Clc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C20H17ClN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196023
(3-benzyl-N-hexyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...)Show InChI InChI=1S/C23H26N6/c1-2-3-4-11-16-24-22-20-23(26-21(25-22)19-14-9-6-10-15-19)29(28-27-20)17-18-12-7-5-8-13-18/h5-10,12-15H,2-4,11,16-17H2,1H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 1.32E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196026
(3-(2-(trifluoromethyl)benzyl)-N-methyl-5-phenyl-3H...)Show SMILES CNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H15F3N6/c1-23-17-15-18(25-16(24-17)12-7-3-2-4-8-12)28(27-26-15)11-13-9-5-6-10-14(13)19(20,21)22/h2-10H,11H2,1H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195998
(3-(2-fluorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...)Show InChI InChI=1S/C20H17FN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 1.50E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412195
(CHEMBL509001)Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H19ClN6O2/c1-34-19-13-11-17(12-14-19)25(33)29-23-21-24(28-22(27-23)16-7-3-2-4-8-16)32(31-30-21)15-18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196007
(3-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...)Show InChI InChI=1S/C20H20N6O/c27-13-7-12-21-19-17-20(23-18(22-19)16-10-5-2-6-11-16)26(25-24-17)14-15-8-3-1-4-9-15/h1-6,8-11,27H,7,12-14H2,(H,21,22,23) | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.14E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50412194
(CHEMBL455382)Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H19FN6O2/c1-34-19-13-11-17(12-14-19)25(33)29-23-21-24(28-22(27-23)16-7-3-2-4-8-16)32(31-30-21)15-18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,28,29,33) | PDB
Reactome pathway
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| CHEMBL
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UniChem
Similars
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PubMed
| 2.19E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195993
(3-(2-chlorobenzyl)-N-cyclobutyl-5-phenyl-3H-[1,2,3...)Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H19ClN6/c22-17-12-5-4-9-15(17)13-28-21-18(26-27-28)20(23-16-10-6-11-16)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,16H,6,10-11,13H2,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 2.40E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196024
(3-(2-fluorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...)Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25FN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27) | PDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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PubMed
| 2.50E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196019
(3-(2-fluorobenzyl)-N-methyl-5-phenyl-3H-[1,2,3]tri...)Show InChI InChI=1S/C18H15FN6/c1-20-17-15-18(22-16(21-17)12-7-3-2-4-8-12)25(24-23-15)11-13-9-5-6-10-14(13)19/h2-10H,11H2,1H3,(H,20,21,22) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 2.50E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196016
(3-(2-chlorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...)Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25ClN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27) | PDB
Reactome pathway
KEGG
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PubMed
| 3.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196013
(1-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19ClN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| 3.20E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196029
(3-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show InChI InChI=1S/C20H19ClN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24) | PDB
Reactome pathway
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UniChem
Similars
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PubMed
| 3.30E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196006
(3-(2-chlorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...)Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H23ClN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 3.40E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196025
(3-benzyl-5-phenyl-N-propyl-3H-[1,2,3]triazolo[4,5-...)Show InChI InChI=1S/C20H20N6/c1-2-13-21-19-17-20(23-18(22-19)16-11-7-4-8-12-16)26(25-24-17)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| 3.70E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196000
(2-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...)Show InChI InChI=1S/C19H18N6O/c26-12-11-20-18-16-19(22-17(21-18)15-9-5-2-6-10-15)25(24-23-16)13-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H,20,21,22) | PDB
Reactome pathway
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| Article
PubMed
| 3.80E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196005
(2-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show InChI InChI=1S/C19H17FN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196008
(3-(2-chlorobenzyl)-N-butyl-5-phenyl-3H-[1,2,3]tria...)Show InChI InChI=1S/C21H21ClN6/c1-2-3-13-23-20-18-21(25-19(24-20)15-9-5-4-6-10-15)28(27-26-18)14-16-11-7-8-12-17(16)22/h4-12H,2-3,13-14H2,1H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196004
(3-benzyl-N-ethyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...)Show InChI InChI=1S/C19H18N6/c1-2-20-18-16-19(22-17(21-18)15-11-7-4-8-12-15)25(24-23-16)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196027
(3-(2-chlorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...)Show InChI InChI=1S/C20H19ClN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.01E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196028
(2-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)Show InChI InChI=1S/C19H17ClN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.16E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50195991
(3-(3-(2-(trifluoromethyl)benzyl)-5-phenyl-3H-[1,2,...)Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)16-10-5-4-9-15(16)13-30-20-17(28-29-30)19(25-11-6-12-31)26-18(27-20)14-7-2-1-3-8-14/h1-5,7-10,31H,6,11-13H2,(H,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.47E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196017
(3-(2-chlorobenzyl)-N-methyl-5-phenyl-3H-[1,2,3]tri...)Show InChI InChI=1S/C18H15ClN6/c1-20-17-15-18(22-16(21-17)12-7-3-2-4-8-12)25(24-23-15)11-13-9-5-6-10-14(13)19/h2-10H,11H2,1H3,(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196001
(3-benzyl-N-methyl-5-phenyl-3H-[1,2,3]triazolo[4,5-...)Show InChI InChI=1S/C18H16N6/c1-19-17-15-18(21-16(20-17)14-10-6-3-7-11-14)24(23-22-15)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.53E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50196021
(3-(2-chlorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...)Show InChI InChI=1S/C19H17ClN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.63E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Eur J Med Chem 43: 114-21 (2008)
Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK |
More data for this
Ligand-Target Pair | |
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