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Compile Data Set for Download or QSAR

Found 182 hits Enz. Inhib. hit(s) with all data for entry = 50009655   
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))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086173
PNG
(CHEMBL17002 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
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1.39n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086168
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)
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1.48n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086167
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H26N6O6/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)37-15-20(32)26-17-7-9-18(10-8-17)31(35)36/h5-12H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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1.52n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50025687
PNG
(2-[4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H25N5O4/c1-4-28-22-20(23(31)29(5-2)24(28)32)26-21(27-22)16-8-12-18(13-9-16)33-14-19(30)25-17-10-6-15(3)7-11-17/h6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27)
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1.78n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50021080
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)
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1.88n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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1.97n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086166
PNG
(CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29)
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2.04n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086165
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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2.13n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086174
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N5O4/c1-3-13-33-23-21(24(36)34(14-4-2)25(33)37)31-22(32-23)16-5-11-19(12-6-16)38-15-20(35)30-18-9-7-17(8-10-18)26(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,30,35)(H,31,32)
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2.14n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086182
PNG
(2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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2.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086184
PNG
(CHEMBL17003 | N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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2.35n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086164
PNG
(CHEMBL275427 | N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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2.47n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086186
PNG
(CHEMBL17341 | N-(2-Acetyl-phenyl)-2-[4-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1
Show InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)18-10-12-19(13-11-18)37-16-22(34)28-21-9-7-6-8-20(21)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
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2.74n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086177
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
Show InChI InChI=1S/C27H30N6O5/c1-4-14-32-24-22(26(36)33(15-5-2)27(32)37)30-23(31-24)17-8-12-20(13-9-17)38-16-21(34)29-19-10-6-18(7-11-19)25(35)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)
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3.34n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086181
PNG
(CHEMBL17202 | N-(2-Acetyl-phenyl)-3-[4-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
Show InChI InChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)
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3.65n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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3.71n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086172
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
Show InChI InChI=1S/C27H29N5O6/c1-4-14-31-24-22(25(34)32(15-5-2)27(31)36)29-23(30-24)17-8-12-20(13-9-17)38-16-21(33)28-19-10-6-18(7-11-19)26(35)37-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,33)(H,29,30)
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3.93n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086163
PNG
(CHEMBL17294 | N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32|
Show InChI InChI=1S/C26H28N6O5/c1-5-13-30-22-20(25(36)31(14-6-2)26(30)37)27-21(28-22)18-10-7-17(8-11-18)9-12-19(33)29-32-23(34)15(3)16(4)24(32)35/h7-12H,5-6,13-14H2,1-4H3,(H,27,28)(H,29,33)
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3.94n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086168
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)
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4.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086187
PNG
(CHEMBL16534 | N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1
Show InChI InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30)
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4.92n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086166
PNG
(CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29)
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5.02n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086178
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-15-30-24-22(25(33)31(16-5-2)26(30)34)27-23(28-24)18-11-13-20(14-12-18)35-17-21(32)29(3)19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3,(H,27,28)
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5.42n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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5.88n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086164
PNG
(CHEMBL275427 | N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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6.35n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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6.82n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK-293 cells in presence of [125I]-IABA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086184
PNG
(CHEMBL17003 | N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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7.46n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086181
PNG
(CHEMBL17202 | N-(2-Acetyl-phenyl)-3-[4-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
Show InChI InChI=1S/C28H29N5O4/c1-4-16-32-26-24(27(36)33(17-5-2)28(32)37)30-25(31-26)20-13-10-19(11-14-20)12-15-23(35)29-22-9-7-6-8-21(22)18(3)34/h6-15H,4-5,16-17H2,1-3H3,(H,29,35)(H,30,31)
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7.67n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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7.75n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086171
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C26H28N6O5/c1-3-13-31-24-21(25(35)32(14-4-2)26(31)36)29-23(30-24)17-7-11-19(12-8-17)37-15-20(33)28-18-9-5-16(6-10-18)22(27)34/h5-12H,3-4,13-15H2,1-2H3,(H2,27,34)(H,28,33)(H,29,30)
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7.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086176
PNG
(CHEMBL275149 | N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35)
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9.88n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086171
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C26H28N6O5/c1-3-13-31-24-21(25(35)32(14-4-2)26(31)36)29-23(30-24)17-7-11-19(12-8-17)37-15-20(33)28-18-9-5-16(6-10-18)22(27)34/h5-12H,3-4,13-15H2,1-2H3,(H2,27,34)(H,28,33)(H,29,30)
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086179
PNG
(CHEMBL17173 | N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |t:32|
Show InChI InChI=1S/C25H28N6O6/c1-5-11-29-21-19(24(35)30(12-6-2)25(29)36)26-20(27-21)16-7-9-17(10-8-16)37-13-18(32)28-31-22(33)14(3)15(4)23(31)34/h7-10H,5-6,11-13H2,1-4H3,(H,26,27)(H,28,32)
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11.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086167
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H26N6O6/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)37-15-20(32)26-17-7-9-18(10-8-17)31(35)36/h5-12H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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13.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50037440
PNG
((E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50025690
PNG
(CHEMBL17141 | N-{4-[(2-Amino-ethylcarbamoyl)-methy...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
Show InChI InChI=1S/C27H31N7O5/c1-3-33-25-23(26(37)34(4-2)27(33)38)31-24(32-25)18-7-11-20(12-8-18)39-16-22(36)30-19-9-5-17(6-10-19)15-21(35)29-14-13-28/h5-12H,3-4,13-16,28H2,1-2H3,(H,29,35)(H,30,36)(H,31,32)
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15.2n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086165
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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15.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086169
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H27N5O6/c1-3-13-30-23-21(24(33)31(14-4-2)26(30)36)28-22(29-23)16-7-11-19(12-8-16)37-15-20(32)27-18-9-5-17(6-10-18)25(34)35/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)(H,34,35)
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16.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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16.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50086182
PNG
(2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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16.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086163
PNG
(CHEMBL17294 | N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32|
Show InChI InChI=1S/C26H28N6O5/c1-5-13-30-22-20(25(36)31(14-6-2)26(30)37)27-21(28-22)18-10-7-17(8-11-18)9-12-19(33)29-32-23(34)15(3)16(4)24(32)35/h7-12H,5-6,13-14H2,1-4H3,(H,27,28)(H,29,33)
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16.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPX


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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16.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021080
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)
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17.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50086182
PNG
(2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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17.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK-293 cells in presence of [125I]-IABA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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18.4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50086166
PNG
(CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29)
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23.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50086177
PNG
(4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
Show InChI InChI=1S/C27H30N6O5/c1-4-14-32-24-22(26(36)33(15-5-2)27(32)37)30-23(31-24)17-8-12-20(13-9-17)38-16-21(34)29-19-10-6-18(7-11-19)25(35)28-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)
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24.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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25.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]-IABA radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50086168
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)
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25.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.


J Med Chem 43: 1165-72 (2000)


BindingDB Entry DOI: 10.7270/Q2M044NW
More data for this
Ligand-Target Pair
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