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11 similar compounds to monomer 50095603

Compile data set for download or QSAR
Wt: 506.5
BDBM50039676
Wt: 708.7
BDBM50039678
Wt: 506.5
BDBM50039681
Wt: 506.5
BDBM50039683
Wt: 505.5
BDBM50095602
Wt: 519.5
BDBM50095604
Wt: 476.5
BDBM50095605
Wt: 448.5
BDBM50095606
Wt: 530.6
BDBM50120221
Wt: 504.5
BDBM50120222
Wt: 518.6
BDBM50120223

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50039676,50039678,50039681,50039683,50095602,50095604,50095605,50095606,50120221,50120222,50120223   
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


(Rattus norvegicus (rat))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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12n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity towards rat Adenosine A1 receptor using [3H]-DPCPX


Bioorg Med Chem Lett 11: 815-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00069-5
BindingDB Entry DOI: 10.7270/Q2TB17FM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120222
PNG
(4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27)
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n/an/an/a 0.460n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120223
PNG
(4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)
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n/an/an/a 0.400n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039678
PNG
(8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarb...)
Show SMILES FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
Show InChI InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28(38)45-17-3-15-35-26-24(33-25(34-26)19-5-1-2-6-19)27(37)36(30(35)40)16-4-18-46-29(39)21-9-13-23(14-10-21)48(32,43)44/h7-14,19H,1-6,15-18H2,(H,33,34)
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n/an/an/a 0.820n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Specific binding of [3H]-CPX to the A1-adenosine receptor


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))
BDBM50039683
PNG
(4-Fluorosulfonyl-benzoic acid 3-(2,6-dioxo-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)c1ccc(cc1)S(F)(=O)=O
Show InChI InChI=1S/C23H27FN4O6S/c1-3-11-27-20-18(21(29)28(12-4-2)23(27)31)25-19(26-20)15-5-8-16(13-15)34-22(30)14-6-9-17(10-7-14)35(24,32)33/h6-7,9-10,15-16H,3-5,8,11-13H2,1-2H3,(H,25,26)
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n/an/a 60n/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))
BDBM50039681
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-27-20-18(25-19(26-20)15-6-3-4-7-15)21(29)28(23(27)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 87n/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))
BDBM50039678
PNG
(8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarb...)
Show SMILES FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
Show InChI InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28(38)45-17-3-15-35-26-24(33-25(34-26)19-5-1-2-6-19)27(37)36(30(35)40)16-4-18-46-29(39)21-9-13-23(14-10-21)48(32,43)44/h7-14,19H,1-6,15-18H2,(H,33,34)
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n/an/a 3.50E+3n/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))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 10n/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))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 1.20n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.340n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR)


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/an/a 0.280n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 0.05 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/an/a 0.230n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR)


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/a 24.9n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.360n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 5 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095605
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26)
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n/an/a>10n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/an/a 0.330n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 5 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095605
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26)
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n/an/a 112n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.310n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 100 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095606
PNG
(4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahy...)
Show SMILES CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)
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n/an/a 165n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/an/a 0.340n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 100 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/an/a 0.710n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 100 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/an/a 0.270n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 0.1 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095606
PNG
(4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahy...)
Show SMILES CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)
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n/an/an/a 0.320n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 200 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.260n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 0.05 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095606
PNG
(4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahy...)
Show SMILES CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)
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n/an/a>10n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/a 2.80n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/an/a 0.370n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 5 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/a 0.420n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095605
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26)
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n/an/an/a 0.370n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 200 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.240n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 0.1 nM


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 11.8n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/an/a 0.270n/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Dissociation constant of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR)


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120222
PNG
(4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27)
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n/an/a 8.70n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.360n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of NKA-induced airway contraction of isolated hamster trachea (ht) was used as a measure of NK2-receptor antagonist activity.


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/an/a 0.330n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/an/a 0.710n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120223
PNG
(4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)
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n/an/an/a 0.310n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120221
PNG
(4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29)
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n/an/an/a 0.410n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120221
PNG
(4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29)
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n/an/a 3.90n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120223
PNG
(4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120222
PNG
(4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27)
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n/an/an/a 0.530n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/an/a 0.310n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50120221
PNG
(4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl...)
Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29)
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n/an/an/a 0.530n/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes


Bioorg Med Chem Lett 12: 3179-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00639-x
BindingDB Entry DOI: 10.7270/Q24F1Q29
More data for this
Ligand-Target Pair