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Compile Data Set for Download or QSAR

Found 956 hits with Last Name = 'lo' and Initial = 'mc'   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0100n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0200n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50110258
PNG
((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...)
Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50110260
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50110259
PNG
(2-Pyrimidin-5-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50110260
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110258
PNG
((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...)
Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50416331
PNG
(CHEMBL1170167)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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1.74n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416330
PNG
(CHEMBL1170166)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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2.34n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110262
PNG
(2-Pyridazin-4-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1ccnnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-7-13-14-8-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414353
PNG
(CHEMBL563425)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H26BrN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(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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2.88n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414355
PNG
(CHEMBL560624)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28)
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3.02n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414354
PNG
(CHEMBL551904)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(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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3.02n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416331
PNG
(CHEMBL1170167)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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3.55n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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4n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to subtype Nicotinic acetylcholine receptor alpha-7 using [125I]-alpha-BTX as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110260
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415167
PNG
(CHEMBL606753)
Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-12-6-4-8-25-12)19-14(20(15)2)10-13-7-5-9-26-13/h4-9H,3,10-11H2,1-2H3
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7.41n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414358
PNG
(CHEMBL557694)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O5/c1-3-31-25(34)22-24(32(26(31)35)13-4-14-36-2)30-23(29-22)18-7-11-20(12-8-18)37-16-21(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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9.12n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50110262
PNG
(2-Pyridazin-4-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1ccnnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-7-13-14-8-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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>10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50110259
PNG
(2-Pyrimidin-5-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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11n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414351
PNG
(CHEMBL561364)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C27H29N5O6/c1-4-31-26(35)23-25(32(27(31)36)14-5-15-37-3)30-24(29-23)19-8-12-21(13-9-19)38-16-22(34)28-20-10-6-18(7-11-20)17(2)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
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11.8n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50110263
PNG
(2-Pyrazin-2-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cnccn1
Show InChI InChI=1S/C12H15N3/c1-2-9-4-5-11(15-9)10(3-1)12-8-13-6-7-14-12/h3,6-9,11,15H,1-2,4-5H2/t9-,11?/m0/s1
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12n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50110258
PNG
((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...)
Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1
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12n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415168
PNG
(CHEMBL593217)
Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-23-19(25)17-18(24(20(23)26)13-15-10-7-11-27-15)21-16(22(17)2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3
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12.9n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415169
PNG
(CHEMBL594271)
Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O
Show InChI InChI=1S/C18H18N4O4/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3
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13.8n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415171
PNG
(CHEMBL595658)
Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Show InChI InChI=1S/C19H20N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h4-7,9-10H,3,8,11-12H2,1-2H3
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14.8n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414360
PNG
(CHEMBL562427)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O6/c1-3-29-24(33)21-23(30(25(29)34)13-4-14-35-2)28-22(27-21)16-5-11-19(12-6-16)36-15-20(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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15.5n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414362
PNG
(CHEMBL556389)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccn2)cc1
Show InChI InChI=1S/C24H26N6O5/c1-3-29-23(32)20-22(30(24(29)33)13-6-14-34-2)28-21(27-20)16-8-10-17(11-9-16)35-15-19(31)26-18-7-4-5-12-25-18/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,27,28)(H,25,26,31)
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15.5n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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19n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50110262
PNG
(2-Pyridazin-4-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1ccnnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-7-13-14-8-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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19n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415173
PNG
(CHEMBL594734)
Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O
Show InChI InChI=1S/C19H20N4O4/c1-3-8-22-18(24)16-17(23(19(22)25)12-14-7-5-10-27-14)20-15(21(16)2)11-13-6-4-9-26-13/h4-7,9-10H,3,8,11-12H2,1-2H3
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19.1n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110259
PNG
(2-Pyrimidin-5-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)


Article DOI: 10.1021/jm010936y
BindingDB Entry DOI: 10.7270/Q2J96736
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414357
PNG
(CHEMBL560905)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1
Show InChI InChI=1S/C22H24N6O6/c1-3-27-21(30)18-20(28(22(27)31)10-4-11-32-2)25-19(24-18)14-5-7-15(8-6-14)33-13-17(29)23-16-9-12-34-26-16/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,25)(H,23,26,29)
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20.9n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50414354
PNG
(CHEMBL551904)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(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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20.9n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to rat cortex adenosine A1 receptor


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415191
PNG
(CHEMBL603209)
Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C21H18F2N4O3/c1-3-9-26-20(28)18-19(27(21(26)29)12-13-6-5-10-30-13)24-17(25(18)2)11-14-15(22)7-4-8-16(14)23/h3-8,10H,1,9,11-12H2,2H3
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21.4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415172
PNG
(CHEMBL594735)
Show SMILES Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C19H18N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h3-7,9-10H,1,8,11-12H2,2H3
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21.4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416325
PNG
(CHEMBL1170990)
Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-19-12-18(26-21(19)22(30)27-23(28)31)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,30,31)
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21.9n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50415181
PNG
(CHEMBL596346)
Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
Show InChI InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3
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26.9n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415454
PNG
(CHEMBL597559)
Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3ccco3)n(C)c2c1=O
Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3
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26.9n/an/an/an/an/an/an/an/a



Universidade de Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter


Bioorg Med Chem 18: 2001-9 (2010)


Article DOI: 10.1016/j.bmc.2010.01.028
BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415183
PNG
(CHEMBL593572)
Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Show InChI InChI=1S/C19H20N4O4S/c1-21-15(11-14-6-4-10-28-14)20-17-16(21)18(24)22(7-9-26-2)19(25)23(17)12-13-5-3-8-27-13/h3-6,8,10H,7,9,11-12H2,1-2H3
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27.5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50415168
PNG
(CHEMBL593217)
Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-23-19(25)17-18(24(20(23)26)13-15-10-7-11-27-15)21-16(22(17)2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3
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28.8n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416334
PNG
(CHEMBL1171380)
Show SMILES CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O
Show InChI InChI=1S/C25H25FN4O4/c1-4-13-30-24(32)23-21(29(3)25(30)33)14-20(28(23)2)16-5-11-19(12-6-16)34-15-22(31)27-18-9-7-17(26)8-10-18/h5-12,14H,4,13,15H2,1-3H3,(H,27,31)
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30.9n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416332
PNG
(CHEMBL1172502)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCc2nc(no2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H20BrN5O4/c1-2-11-30-23(31)21-19(27-24(30)32)12-18(26-21)14-5-9-17(10-6-14)33-13-20-28-22(29-34-20)15-3-7-16(25)8-4-15/h3-10,12,26H,2,11,13H2,1H3,(H,27,32)
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31.6n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415170
PNG
(CHEMBL604075)
Show SMILES Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16N4O4/c1-19-13(9-11-5-3-7-24-11)18-15-14(19)16(22)20(2)17(23)21(15)10-12-6-4-8-25-12/h3-8H,9-10H2,1-2H3
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32.4n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414352
PNG
(CHEMBL552304)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C24H26N6O5/c1-3-29-23(32)20-22(30(24(29)33)12-5-13-34-2)28-21(27-20)16-7-9-18(10-8-16)35-15-19(31)26-17-6-4-11-25-14-17/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,26,31)(H,27,28)
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33.9n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415455
PNG
(CHEMBL603878)
Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O
Show InChI InChI=1S/C18H18N4O2S2/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3
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35.5n/an/an/an/an/an/an/an/a



Universidade de Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter


Bioorg Med Chem 18: 2001-9 (2010)


Article DOI: 10.1016/j.bmc.2010.01.028
BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415180
PNG
(CHEMBL594963)
Show SMILES Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C20H20N4O3S/c1-22-16(10-15-5-3-9-28-15)21-18-17(22)19(25)24(11-13-6-7-13)20(26)23(18)12-14-4-2-8-27-14/h2-5,8-9,13H,6-7,10-12H2,1H3
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35.5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50414355
PNG
(CHEMBL560624)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28)
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36.3n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to rat cortex adenosine A1 receptor


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
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