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PubMed code 1495019

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((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
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0.760n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50455606
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C19H24N6O4/c1-2-3-4-5-6-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10-7-8-10/h9-10,13-15,19,26-27H,2-4,7-8H2,1H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50452520
PNG
(CHEMBL2094089 | N6-[2-(3,5-dimethoxyphenyl)-2-(2-m...)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C
Show InChI InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50455608
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20ClN5O3/c1-2-3-4-5-6-10-20-14(18)11-15(21-10)22(8-19-11)16-13(24)12(23)9(7-17)25-16/h8-9,12-13,16,23-24H,2-4,7H2,1H3,(H2,18,20,21)/t9-,12-,13-,16-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50453216
PNG
(2-(l-hexyn-l-yl)adenosine (8, YT-146) | CHEMBL2113...)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-6,9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((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
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8.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM21220
PNG
((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
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368362
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1
Show InChI InChI=1S/C17H22N6O4/c1-3-4-5-6-7-9-21-14(18)10-15(22-9)23(8-20-10)17-12(25)11(24)13(27-17)16(26)19-2/h8,11-13,17,24-25H,3-5H2,1-2H3,(H,19,26)(H2,18,21,22)/t11-,12+,13-,17?/m0/s1
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11n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368355
PNG
(CHEMBL609475)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCCC)c2n1
Show InChI InChI=1S/C19H26N6O4/c1-3-5-6-7-8-11-23-16(20)12-17(24-11)25(10-22-12)19-14(27)13(26)15(29-19)18(28)21-9-4-2/h10,13-15,19,26-27H,3-6,9H2,1-2H3,(H,21,28)(H2,20,23,24)/t13-,14+,15-,19?/m0/s1
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19n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM65453
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC(C)C)c2n1
Show InChI InChI=1S/C19H26N6O4/c1-4-5-6-7-8-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10(2)3/h9-10,13-15,19,26-27H,4-6H2,1-3H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1
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44n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452520
PNG
(CHEMBL2094089 | N6-[2-(3,5-dimethoxyphenyl)-2-(2-m...)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C
Show InChI InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1
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64n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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83n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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103n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453216
PNG
(2-(l-hexyn-l-yl)adenosine (8, YT-146) | CHEMBL2113...)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-6,9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
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117n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455606
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C19H24N6O4/c1-2-3-4-5-6-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10-7-8-10/h9-10,13-15,19,26-27H,2-4,7-8H2,1H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1
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136n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50455605
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC
Show InChI InChI=1S/C20H28N6O4/c1-3-5-7-8-9-12-24-17(21)13-18(25-12)26(11-23-13)20-15(28)14(27)16(30-20)19(29)22-10-6-4-2/h11,14-16,20,27-28H,3-7,10H2,1-2H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
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169n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368354
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (3...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O3S/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(28-17)8-21-18(29)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,29)/t10-,13-,14-,17?/m1/s1
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>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368358
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(29-17)8-21-18(28)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,28)/t10-,13-,14-,17?/m1/s1
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>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368357
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(C)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-4-5-6-7-12-22-16(19)13-17(23-12)24(9-21-13)18-15(27)14(26)11(28-18)8-20-10(2)25/h9,11,14-15,18,26-27H,3-5,8H2,1-2H3,(H,20,25)(H2,19,22,23)/t11-,14-,15-,18?/m1/s1
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>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368358
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(29-17)8-21-18(28)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,28)/t10-,13-,14-,17?/m1/s1
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>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368356
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H24N6O5S/c1-3-4-5-6-7-11-21-15(18)12-16(22-11)23(9-19-12)17-14(25)13(24)10(28-17)8-20-29(2,26)27/h9-10,13-14,17,20,24-25H,3-5,8H2,1-2H3,(H2,18,21,22)/t10-,13-,14-,17?/m1/s1
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>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455608
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20ClN5O3/c1-2-3-4-5-6-10-20-14(18)11-15(21-10)22(8-19-11)16-13(24)12(23)9(7-17)25-16/h8-9,12-13,16,23-24H,2-4,7H2,1H3,(H2,18,20,21)/t9-,12-,13-,16-/m1/s1
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217n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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276n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM25400
PNG
((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
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336n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368357
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(C)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-4-5-6-7-12-22-16(19)13-17(23-12)24(9-21-13)18-15(27)14(26)11(28-18)8-20-10(2)25/h9,11,14-15,18,26-27H,3-5,8H2,1-2H3,(H,20,25)(H2,19,22,23)/t11-,14-,15-,18?/m1/s1
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>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368354
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (3...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O3S/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(28-17)8-21-18(29)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,29)/t10-,13-,14-,17?/m1/s1
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>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368356
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H24N6O5S/c1-3-4-5-6-7-11-21-15(18)12-16(22-11)23(9-19-12)17-14(25)13(24)10(28-17)8-20-29(2,26)27/h9-10,13-14,17,20,24-25H,3-5,8H2,1-2H3,(H2,18,21,22)/t10-,13-,14-,17?/m1/s1
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>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368359
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N6O4/c1-2-3-4-5-6-11-21-15(18)12-16(22-11)23(8-20-12)17-14(26)13(25)10(27-17)7-19-9-24/h8-10,13-14,17,25-26H,2-4,7H2,1H3,(H,19,24)(H2,18,21,22)/t10-,13-,14-,17?/m1/s1
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>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368358
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O4/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(29-17)8-21-18(28)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,28)/t10-,13-,14-,17?/m1/s1
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>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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529n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455607
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2n1
Show InChI InChI=1S/C16H20N6O4/c1-2-3-4-5-6-8-20-13(17)9-15(21-8)22(7-19-9)16-11(24)10(23)12(26-16)14(18)25/h7,10-12,16,23-24H,2-4H2,1H3,(H2,18,25)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368362
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1
Show InChI InChI=1S/C17H22N6O4/c1-3-4-5-6-7-9-21-14(18)10-15(22-9)23(8-20-10)17-12(25)11(24)13(27-17)16(26)19-2/h8,11-13,17,24-25H,3-5H2,1-2H3,(H,19,26)(H2,18,21,22)/t11-,12+,13-,17?/m0/s1
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1.79E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM65453
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC(C)C)c2n1
Show InChI InChI=1S/C19H26N6O4/c1-4-5-6-7-8-11-23-16(20)12-17(24-11)25(9-21-12)19-14(27)13(26)15(29-19)18(28)22-10(2)3/h9-10,13-15,19,26-27H,4-6H2,1-3H3,(H,22,28)(H2,20,23,24)/t13-,14+,15-,19+/m0/s1
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1.81E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455605
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCC
Show InChI InChI=1S/C20H28N6O4/c1-3-5-7-8-9-12-24-17(21)13-18(25-12)26(11-23-13)20-15(28)14(27)16(30-20)19(29)22-10-6-4-2/h11,14-16,20,27-28H,3-7,10H2,1-2H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
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1.93E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%