Found 83 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) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | KEGG
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | UniProtKB/SwissProt
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | UniProtKB/SwissProt
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | UniProtKB/SwissProt
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | UniProtKB/SwissProt
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | UniProtKB/SwissProt
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | UniProtKB/SwissProt
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | PDB
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| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | PDB
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Curated by PDSP Ki Database
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Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | UniProtKB/SwissProt
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| 23.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | PDB
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| 26.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | UniProtKB/SwissProt
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| 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 33.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | UniProtKB/SwissProt
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | KEGG
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| 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) | PDB
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| 39.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 66.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | UniProtKB/SwissProt
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| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | KEGG
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 466 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 534 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | UniProtKB/SwissProt
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| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | KEGG
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| 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
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| 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 2
(HAMSTER) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | UniProtKB/SwissProt
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| 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Oryctolagus cuniculus (Rabbit)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
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| 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
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| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
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| 5.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
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| 6.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
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| 7.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | KEGG
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| 9.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this
Ligand-Target Pair | |
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