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9 similar compounds to monomer 50110977

Wt: 470.5
BDBM50018433
Wt: 456.5
BDBM50018406
Wt: 454.5
BDBM50110973
Wt: 468.5
BDBM50110983
Wt: 560.6
BDBM50110984
Wt: 386.4
BDBM50110986
Wt: 502.5
BDBM50110989
Wt: 498.5
BDBM50110991
Wt: 516.5
BDBM50110992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50018433,50018406,50110973,50110983,50110984,50110986,50110989,50110991,50110992   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus (rat))
BDBM50018433
PNG
(CHEMBL52993 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)CCN(C)C)cc1
Show InChI InChI=1S/C24H34N6O4/c1-6-12-29-22-20(23(32)30(13-7-2)24(29)33)25-21(26-22)17-8-10-18(11-9-17)34-16-19(31)28(5)15-14-27(3)4/h8-11H,6-7,12-16H2,1-5H3,(H,25,26)
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0.930n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110992
PNG
(8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50018406
PNG
(CHEMBL59084 | N-(2-Dimethylamino-ethyl)-2-[4-(2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(C)C)cc1
Show InChI InChI=1S/C23H32N6O4/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)32)25-20(26-21)16-7-9-17(10-8-16)33-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)
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2.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110984
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C29H32N6O6/c1-2-3-13-35-27(37)24-26(32-28(35)38)31-25(30-24)21-9-11-22(12-10-21)40-19-23(36)33-14-16-34(17-15-33)29(39)41-18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,30,31)(H,32,38)
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2.90n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110973
PNG
(1-Butyl-8-{4-[2-(4-ethyl-piperazin-1-yl)-2-oxo-eth...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
Show InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)
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5.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110991
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)
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6.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110983
PNG
(8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)
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6.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110986
PNG
(CHEMBL288459 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C18H22N6O4/c1-2-9-24-17(26)14-16(23-18(24)27)22-15(21-14)11-3-5-12(6-4-11)28-10-13(25)20-8-7-19/h3-6H,2,7-10,19H2,1H3,(H,20,25)(H,21,22)(H,23,27)
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10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110989
PNG
(1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)
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14.7n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110984
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C29H32N6O6/c1-2-3-13-35-27(37)24-26(32-28(35)38)31-25(30-24)21-9-11-22(12-10-21)40-19-23(36)33-14-16-34(17-15-33)29(39)41-18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,30,31)(H,32,38)
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15n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110989
PNG
(1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)
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17n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110973
PNG
(1-Butyl-8-{4-[2-(4-ethyl-piperazin-1-yl)-2-oxo-eth...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
Show InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)
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18n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110991
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)
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20n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110986
PNG
(CHEMBL288459 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C18H22N6O4/c1-2-9-24-17(26)14-16(23-18(24)27)22-15(21-14)11-3-5-12(6-4-11)28-10-13(25)20-8-7-19/h3-6H,2,7-10,19H2,1H3,(H,20,25)(H,21,22)(H,23,27)
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24n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110983
PNG
(8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)
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30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50110992
PNG
(8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
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37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50110992
PNG
(8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
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122n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to human recombinant Adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110984
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C29H32N6O6/c1-2-3-13-35-27(37)24-26(32-28(35)38)31-25(30-24)21-9-11-22(12-10-21)40-19-23(36)33-14-16-34(17-15-33)29(39)41-18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,30,31)(H,32,38)
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130n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110973
PNG
(1-Butyl-8-{4-[2-(4-ethyl-piperazin-1-yl)-2-oxo-eth...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
Show InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)
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290n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110986
PNG
(CHEMBL288459 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C18H22N6O4/c1-2-9-24-17(26)14-16(23-18(24)27)22-15(21-14)11-3-5-12(6-4-11)28-10-13(25)20-8-7-19/h3-6H,2,7-10,19H2,1H3,(H,20,25)(H,21,22)(H,23,27)
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365n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110983
PNG
(8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)
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450n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50110992
PNG
(8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
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475n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PSB-11 binding to human Adenosine A3 receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110992
PNG
(8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
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550n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110991
PNG
(4-{2-[4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-p...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)
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900n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)

More data for this
Ligand-Target Pair