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PubMed code 1694546

Compile data set for download or QSAR
Found 33 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


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
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)
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0.470n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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2.5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007837
PNG
(8-Cyclobutylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H23N5O2/c1-3-8-19-12-11(13(21)20(9-4-2)15(19)22)17-14(18-12)16-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,16,17,18)
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2.60n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007845
PNG
(CHEMBL134837 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1
Show InChI InChI=1S/C20H31N5O3/c1-4-10-24-18-16(19(27)25(11-5-2)20(24)28)22-17(23-18)15-8-6-14(7-9-15)12-21-13(3)26/h14-15H,4-12H2,1-3H3,(H,21,26)(H,22,23)/t14-,15-
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8n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007854
PNG
(8-Cyclopentylamino-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O2/c1-3-9-20-13-12(14(22)21(10-4-2)16(20)23)18-15(19-13)17-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H2,17,18,19)
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8n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007853
PNG
(8-(2-Methyl-cyclopropyl)-1,3-dipropyl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
Show InChI InChI=1S/C15H22N4O2/c1-4-6-18-13-11(14(20)19(7-5-2)15(18)21)16-12(17-13)10-8-9(10)3/h9-10H,4-8H2,1-3H3,(H,16,17)
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11n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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12n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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12n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007851
PNG
(8-Cyclohexylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H27N5O2/c1-3-10-21-14-13(15(23)22(11-4-2)17(21)24)19-16(20-14)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,18,19,20)
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14n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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17n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007855
PNG
(8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1
Show InChI InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21)
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20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007841
PNG
(8-Piperidin-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
Show InChI InChI=1S/C16H25N5O2/c1-3-8-20-13-12(14(22)21(9-4-2)16(20)23)17-15(18-13)19-10-6-5-7-11-19/h3-11H2,1-2H3,(H,17,18)
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22n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007833
PNG
(CHEMBL300983 | N-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
Show InChI InChI=1S/C19H29N5O3/c1-4-9-23-17-15(18(26)24(10-5-2)19(23)27)21-16(22-17)13-7-6-8-14(11-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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41n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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42n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007849
PNG
(8-(3-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
Show InChI InChI=1S/C17H27N5O2/c1-3-8-21-15-13(16(23)22(9-4-2)17(21)24)19-14(20-15)11-6-5-7-12(18)10-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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50n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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53n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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53n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007840
PNG
(8-Cyclopentylmethyl-1,3-dipropyl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-3-9-20-15-14(16(22)21(10-4-2)17(20)23)18-13(19-15)11-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)
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69n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007834
PNG
(1,3-Dipropyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
Show InChI InChI=1S/C15H23N5O2/c1-3-7-19-12-11(13(21)20(8-4-2)15(19)22)16-14(17-12)18-9-5-6-10-18/h3-10H2,1-2H3,(H,16,17)
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76n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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82n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007846
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C21H33N5O3/c1-4-11-22-19(27)15-9-7-14(8-10-15)17-23-16-18(24-17)25(12-5-2)21(29)26(13-6-3)20(16)28/h14-15H,4-13H2,1-3H3,(H,22,27)(H,23,24)
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85n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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85n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007843
PNG
(8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1
Show InChI InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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90n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007850
PNG
((cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
Show InChI InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24)
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100n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007850
PNG
((cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
Show InChI InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24)
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100n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007847
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC
Show InChI InChI=1S/C19H28N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)26)20-15(21-16)12-6-8-13(9-7-12)18(25)27-3/h12-13H,4-11H2,1-3H3,(H,20,21)
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130n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007843
PNG
(8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1
Show InChI InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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160n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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430n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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430n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007856
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
Show InChI InChI=1S/C16H22N4O4/c1-3-7-19-13-11(14(21)20(8-4-2)16(19)24)17-12(18-13)9-5-6-10(9)15(22)23/h9-10H,3-8H2,1-2H3,(H,17,18)(H,22,23)
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660n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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>3.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007852
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O
Show InChI InChI=1S/C17H22N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h3-9H2,1-2H3,(H,18,19)(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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


(Homo sapiens (human))
BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


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