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PubMed code 3172141

Compile data set for download or QSAR
Found 15 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))
BDBM50022731
PNG
(1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
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500n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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700n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022734
PNG
(3,5,8-Trimethyl-1,7-dihydro-benzo[1,2-c;5,4-c']dip...)
Show SMILES Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
Show InChI InChI=1S/C11H12N4/c1-5-10-8(6(2)12-14-10)4-9-7(3)13-15-11(5)9/h4H,1-3H3,(H,12,14)(H,13,15)
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1.20E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022732
PNG
(3,5-Dimethyl-8-nitro-1,7-dihydro-benzo[1,2-c;5,4-c...)
Show SMILES Cc1n[nH]c2c([N+]([O-])=O)c3n[nH]c(C)c3cc12
Show InChI InChI=1S/C10H9N5O2/c1-4-6-3-7-5(2)12-14-9(7)10(15(16)17)8(6)13-11-4/h3H,1-2H3,(H,11,13)(H,12,14)
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1.90E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82021
PNG
(1,3-Diethylxanthine | CAS_101420 | CHEMBL416013 | ...)
Show SMILES CCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11)
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PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
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)
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7.40E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022733
PNG
(3,5-Dimethyl-1,7-dihydro-benzo[1,2-c;5,4-c']dipyra...)
Show SMILES Cc1n[nH]c2cc3n[nH]c(C)c3cc12
Show InChI InChI=1S/C10H10N4/c1-5-7-3-8-6(2)12-14-10(8)4-9(7)13-11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)
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8.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82020
PNG
(1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xan...)
Show SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3
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9.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022725
PNG
(1,3-Diallyl-3,7-dihydro-purine-2,6-dione | CHEMBL2...)
Show SMILES C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C11H12N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h3-4,7H,1-2,5-6H2,(H,12,13)
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1.00E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022724
PNG
(3,5-Dimethyl-1,7-dipropyl-1,7-dihydro-benzo[1,2-c;...)
Show SMILES CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
Show InChI InChI=1S/C16H22N4/c1-5-7-19-15-10-16-14(9-13(15)11(3)17-19)12(4)18-20(16)8-6-2/h9-10H,5-8H2,1-4H3
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PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
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)
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1.40E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022728
PNG
(1,7-Diethyl-3,5,8-trimethyl-1,7-dihydro-benzo[1,2-...)
Show SMILES CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c12
Show InChI InChI=1S/C15H20N4/c1-6-18-14-9(3)15-13(8-12(14)10(4)16-18)11(5)17-19(15)7-2/h8H,6-7H2,1-5H3
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2.00E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022729
PNG
(1,7-Diethyl-3,5-dimethyl-1,7-dihydro-benzo[1,2-c;5...)
Show SMILES CCn1nc(C)c2cc3c(C)nn(CC)c3cc12
Show InChI InChI=1S/C14H18N4/c1-5-17-13-8-14-12(7-11(13)9(3)15-17)10(4)16-18(14)6-2/h7-8H,5-6H2,1-4H3
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2.70E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022726
PNG
(1,3,5,7,8-Pentamethyl-1,7-dihydro-benzo[1,2-c;5,4-...)
Show SMILES Cc1nn(C)c2c(C)c3n(C)nc(C)c3cc12
Show InChI InChI=1S/C13H16N4/c1-7-12-10(8(2)14-16(12)4)6-11-9(3)15-17(5)13(7)11/h6H,1-5H3
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5.40E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50022727
PNG
(1,3,5,7-Tetramethyl-1,7-dihydro-benzo[1,2-c;5,4-c'...)
Show SMILES Cc1nn(C)c2cc3n(C)nc(C)c3cc12
Show InChI InChI=1S/C12H14N4/c1-7-9-5-10-8(2)14-16(4)12(10)6-11(9)15(3)13-7/h5-6H,1-4H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%