Found 52 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
(Rattus norvegicus (rat)) | BDBM50281137
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenylsulfanyl-pipe...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-6-13(7-9-27)33-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
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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
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281132
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenoxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-6-13(7-9-27)32-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281152
((2R,3R,4S,5R)-2-[2-Fluoro-6-(piperidin-1-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12 Show InChI InChI=1S/C15H21FN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281143
((2R,3R,4S,5R)-2-[2-Chloro-6-(2,6-dimethyl-piperidi...)Show SMILES CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25ClN6O4/c1-8-4-3-5-9(2)24(8)22-14-11-15(21-17(18)20-14)23(7-19-11)16-13(27)12(26)10(6-25)28-16/h7-10,12-13,16,25-27H,3-6H2,1-2H3,(H,20,21,22)/t8?,9?,10-,12-,13-,16-/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50080400
((2R,3R,4S,5R)-2-[2-Chloro-6-(piperidin-1-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281131
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-3,6-dihydro-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19| Show InChI InChI=1S/C21H23ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-6,11,14,16-17,20,29-31H,7-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281144
((2R,3R,4S,5R)-2-[6-(Azepan-1-ylamino)-2-chloro-pur...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H23ClN6O4/c17-16-19-13(21-22-5-3-1-2-4-6-22)10-14(20-16)23(8-18-10)15-12(26)11(25)9(7-24)27-15/h8-9,11-12,15,24-26H,1-7H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1 | PDB
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281140
((2R,3R,4S,5R)-2-[2-Bromo-6-(piperidin-1-ylamino)-p...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12 Show InChI InChI=1S/C15H21BrN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281142
((2R,3R,4S,5R)-2-[2-Chloro-6-((S)-2-methoxymethyl-p...)Show SMILES COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9+,11+,12+,15+/m0/s1 | PDB
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| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281133
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-hydroxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O5/c16-15-18-12(20-21-3-1-2-7(24)4-21)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-23)27-14/h6-8,10-11,14,23-26H,1-5H2,(H,18,19,20)/t7?,8-,10-,11-,14-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281150
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281151
((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-2-methoxymethyl-p...)Show SMILES COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9-,11-,12-,15-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281138
((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1 | PDB
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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
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281139
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenylsulfanyl-pipe...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-4-7-13(9-27)33-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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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
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281148
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenoxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-4-7-13(9-27)32-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281145
((2R,3R,4S,5R)-2-[2-Chloro-6-(2-phenyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-28-9-5-4-8-13(28)12-6-2-1-3-7-12)15-19(25-21)27(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,6-7,11,13-14,16-17,20,29-31H,4-5,8-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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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
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281130
((2R,3R,4S,5R)-2-[6-(4-Benzenesulfonyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O6S/c22-21-24-18(15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)34-20)26-27-8-6-13(7-9-27)35(32,33)12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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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
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281141
((2R,3R,4S,5R)-2-[2-Amino-6-(piperidin-1-ylamino)-p...)Show SMILES Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C15H23N7O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281143
((2R,3R,4S,5R)-2-[2-Chloro-6-(2,6-dimethyl-piperidi...)Show SMILES CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H25ClN6O4/c1-8-4-3-5-9(2)24(8)22-14-11-15(21-17(18)20-14)23(7-19-11)16-13(27)12(26)10(6-25)28-16/h7-10,12-13,16,25-27H,3-6H2,1-2H3,(H,20,21,22)/t8?,9?,10-,12-,13-,16-/m1/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281145
((2R,3R,4S,5R)-2-[2-Chloro-6-(2-phenyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-28-9-5-4-8-13(28)12-6-2-1-3-7-12)15-19(25-21)27(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,6-7,11,13-14,16-17,20,29-31H,4-5,8-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281134
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperazin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C20H24ClN7O4/c21-20-23-17(25-27-8-6-26(7-9-27)12-4-2-1-3-5-12)14-18(24-20)28(11-22-14)19-16(31)15(30)13(10-29)32-19/h1-5,11,13,15-16,19,29-31H,6-10H2,(H,23,24,25)/t13-,15-,16-,19-/m1/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281147
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-methyl-piperazin-1-...)Show SMILES CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22ClN7O4/c1-21-2-4-22(5-3-21)20-12-9-13(19-15(16)18-12)23(7-17-9)14-11(26)10(25)8(6-24)27-14/h7-8,10-11,14,24-26H,2-6H2,1H3,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281130
((2R,3R,4S,5R)-2-[6-(4-Benzenesulfonyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O6S/c22-21-24-18(15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)34-20)26-27-8-6-13(7-9-27)35(32,33)12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
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| 321 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281149
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-methylsulfanyl-...)Show SMILES CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H24N6O4S/c1-27-16-18-13(20-21-5-3-2-4-6-21)10-14(19-16)22(8-17-10)15-12(25)11(24)9(7-23)26-15/h8-9,11-12,15,23-25H,2-7H2,1H3,(H,18,19,20)/t9-,11-,12-,15-/m1/s1 | PDB
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| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281146
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)Show SMILES CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H28N6O5/c1-2-8-28-18-20-15(22-23-6-4-3-5-7-23)12-16(21-18)24(10-19-12)17-14(27)13(26)11(9-25)29-17/h10-11,13-14,17,25-27H,2-9H2,1H3,(H,20,21,22)/t11-,13-,14-,17-/m1/s1 | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281151
((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-2-methoxymethyl-p...)Show SMILES COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9-,11-,12-,15-/m1/s1 | PDB
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| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281137
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenylsulfanyl-pipe...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-6-13(7-9-27)33-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281142
((2R,3R,4S,5R)-2-[2-Chloro-6-((S)-2-methoxymethyl-p...)Show SMILES COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9+,11+,12+,15+/m0/s1 | PDB
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| 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281131
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-3,6-dihydro-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12 |c:19| Show InChI InChI=1S/C21H23ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-6,11,14,16-17,20,29-31H,7-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 638 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | PDB
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| 667 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281133
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-hydroxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O5/c16-15-18-12(20-21-3-1-2-7(24)4-21)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-23)27-14/h6-8,10-11,14,23-26H,1-5H2,(H,18,19,20)/t7?,8-,10-,11-,14-/m1/s1 | PDB
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| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281138
((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1 | PDB
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| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281152
((2R,3R,4S,5R)-2-[2-Fluoro-6-(piperidin-1-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12 Show InChI InChI=1S/C15H21FN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281132
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenoxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-6-13(7-9-27)32-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281144
((2R,3R,4S,5R)-2-[6-(Azepan-1-ylamino)-2-chloro-pur...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H23ClN6O4/c17-16-19-13(21-22-5-3-1-2-4-6-22)10-14(20-16)23(8-18-10)15-12(26)11(25)9(7-24)27-15/h8-9,11-12,15,24-26H,1-7H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1 | PDB
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| 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281150
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperidin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281139
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenylsulfanyl-pipe...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-4-7-13(9-27)33-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50080400
((2R,3R,4S,5R)-2-[2-Chloro-6-(piperidin-1-ylamino)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H21ClN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281140
((2R,3R,4S,5R)-2-[2-Bromo-6-(piperidin-1-ylamino)-p...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12 Show InChI InChI=1S/C15H21BrN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281148
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenoxy-piperidin-1...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-4-7-13(9-27)32-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1 | PDB
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| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281146
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)Show SMILES CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C18H28N6O5/c1-2-8-28-18-20-15(22-23-6-4-3-5-7-23)12-16(21-18)24(10-19-12)17-14(27)13(26)11(9-25)29-17/h10-11,13-14,17,25-27H,2-9H2,1H3,(H,20,21,22)/t11-,13-,14-,17-/m1/s1 | PDB
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281149
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-methylsulfanyl-...)Show SMILES CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H24N6O4S/c1-27-16-18-13(20-21-5-3-2-4-6-21)10-14(19-16)22(8-17-10)15-12(25)11(24)9(7-23)26-15/h8-9,11-12,15,23-25H,2-7H2,1H3,(H,18,19,20)/t9-,11-,12-,15-/m1/s1 | PDB
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| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281135
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12 Show InChI InChI=1S/C15H22N6O4/c22-6-9-11(23)12(24)15(25-9)21-8-18-10-13(16-7-17-14(10)21)19-20-4-2-1-3-5-20/h7-9,11-12,15,22-24H,1-6H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
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| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281141
((2R,3R,4S,5R)-2-[2-Amino-6-(piperidin-1-ylamino)-p...)Show SMILES Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C15H23N7O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281134
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperazin-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C20H24ClN7O4/c21-20-23-17(25-27-8-6-26(7-9-27)12-4-2-1-3-5-12)14-18(24-20)28(11-22-14)19-16(31)15(30)13(10-29)32-19/h1-5,11,13,15-16,19,29-31H,6-10H2,(H,23,24,25)/t13-,15-,16-,19-/m1/s1 | PDB
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| 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281135
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12 Show InChI InChI=1S/C15H22N6O4/c22-6-9-11(23)12(24)15(25-9)21-8-18-10-13(16-7-17-14(10)21)19-20-4-2-1-3-5-20/h7-9,11-12,15,22-24H,1-6H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50281136
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrroli...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12 Show InChI InChI=1S/C14H19IN6O4/c15-14-17-11(19-20-3-1-2-4-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1 | PDB
Reactome pathway
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| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A1 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281147
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-methyl-piperazin-1-...)Show SMILES CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22ClN7O4/c1-21-2-4-22(5-3-21)20-12-9-13(19-15(16)18-12)23(7-17-9)14-11(26)10(25)8(6-24)27-14/h7-8,10-11,14,24-26H,2-6H2,1H3,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
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| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50281136
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrroli...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12 Show InChI InChI=1S/C14H19IN6O4/c15-14-17-11(19-20-3-1-2-4-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1 | PDB
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Similars
| Article
| 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain |
Bioorg Med Chem Lett 3: 2661-2666 (1993)
Article DOI: 10.1016/S0960-894X(01)80737-X
BindingDB Entry DOI: 10.7270/Q2MC8ZXQ |
More data for this
Ligand-Target Pair | |
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