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7 similar compounds to monomer 50039684

Compile data set for download or QSAR
Wt: 305.3
BDBM50007834
Wt: 305.3
BDBM50007837
Wt: 319.4
BDBM50007841
Wt: 333.4
BDBM50007851
Wt: 319.4
BDBM50007854
Wt: 313.7
BDBM50039698
Wt: 376.2
BDBM50039702

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50007834,50007837,50007841,50007851,50007854,50039698,50039702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
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


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
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


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
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


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
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


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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120n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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130n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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490n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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680n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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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>3.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes


J Med Chem 33: 1906-10 (1990)


Article DOI: 10.1021/jm00169a012
BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039702
PNG
(8-[Bis-(2-chloro-ethyl)-amino]-1,3-dipropyl-3,7-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N(CCCl)CCCl
Show InChI InChI=1S/C15H23Cl2N5O2/c1-3-7-21-12-11(13(23)22(8-4-2)15(21)24)18-14(19-12)20(9-5-16)10-6-17/h3-10H2,1-2H3,(H,18,19)
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n/an/a 90n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.


J Med Chem 37: 2704-12 (1994)


Article DOI: 10.1021/jm00043a010
BindingDB Entry DOI: 10.7270/Q24748X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039698
PNG
(8-(2-Chloro-ethylamino)-1,3-dipropyl-3,7-dihydro-p...)
Show SMILES CCCn1c2nc(NCCCl)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C13H20ClN5O2/c1-3-7-18-10-9(16-12(17-10)15-6-5-14)11(20)19(8-4-2)13(18)21/h3-8H2,1-2H3,(H2,15,16,17)
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n/an/a 8n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.


J Med Chem 37: 2704-12 (1994)


Article DOI: 10.1021/jm00043a010
BindingDB Entry DOI: 10.7270/Q24748X6
More data for this
Ligand-Target Pair