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Compile Data Set for Download or QSAR

Found 422 hits with Last Name = 'menon' and Initial = 's'   
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


(Homo sapiens (Human))
BDBM50231595
PNG
(CHEMBL4092832)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)
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0.200n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235055
PNG
(CHEMBL4095355)
Show SMILES CCN(CC)C1CCC(C)(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
Show InChI InChI=1S/C24H36N4O3S/c1-5-27(6-2)17-9-11-24(3,12-10-17)22(29)26-23-25-20-19(30-4)8-7-18(21(20)32-23)28-13-15-31-16-14-28/h7-8,17H,5-6,9-16H2,1-4H3,(H,25,26,29)
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0.200n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235053
PNG
(CHEMBL4064207)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12
Show InChI InChI=1S/C21H29N3O4S/c1-20(6-8-21(2,26)9-7-20)18(25)23-19-22-16-15(27-3)5-4-14(17(16)29-19)24-10-12-28-13-11-24/h4-5,26H,6-13H2,1-3H3,(H,22,23,25)
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0.25n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231590
PNG
(CHEMBL4063997)
Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)
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0.280n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50011294
PNG
(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
Show InChI InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
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0.300n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor


(Homo sapiens (Human))
BDBM50232062
PNG
(CHEMBL4068507)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H31F3N8O3/c1-3-9-37-24-22(25(40)38(10-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-13-11-34(12-14-35)20-7-5-19(6-8-20)27(28,29)30/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,32,33)
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0.900n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232044
PNG
(CHEMBL4083317)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)
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0.900n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235043
PNG
(CHEMBL4095424)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3cccc(F)c3)nc12
Show InChI InChI=1S/C22H24FN3O4S/c1-22(2,30-15-6-4-5-14(23)13-15)20(27)25-21-24-18-17(28-3)8-7-16(19(18)31-21)26-9-11-29-12-10-26/h4-8,13H,9-12H2,1-3H3,(H,24,25,27)
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0.950n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232060
PNG
(CHEMBL4095766)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1/C29H30F3N5O4/c1-3-13-35-26-24(27(39)36(14-4-2)28(35)40)33-25(34-26)19-5-11-22(12-6-19)41-17-18-15-23(38)37(16-18)21-9-7-20(8-10-21)29(30,31)32/h5-12,18H,3-4,13-17H2,1-2H3,(H,33,34)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231595
PNG
(CHEMBL4092832)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235045
PNG
(CHEMBL4086751)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3c(F)cccc3F)nc12
Show InChI InChI=1S/C22H23F2N3O4S/c1-22(2,31-18-13(23)5-4-6-14(18)24)20(28)26-21-25-17-16(29-3)8-7-15(19(17)32-21)27-9-11-30-12-10-27/h4-8H,9-12H2,1-3H3,(H,25,26,28)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232044
PNG
(CHEMBL4083317)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235052
PNG
(CHEMBL4099688)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12
Show InChI InChI=1S/C20H27N3O4S/c1-20(7-5-13(24)6-8-20)18(25)22-19-21-16-15(26-2)4-3-14(17(16)28-19)23-9-11-27-12-10-23/h3-4,13,24H,5-12H2,1-2H3,(H,21,22,25)
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1.10n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232058
PNG
(CHEMBL4092455)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(O)C2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C27H30F3N7O4/c1-3-8-35-24-22(25(40)36(9-4-2)26(35)41)32-23(33-24)17-12-31-34(13-17)15-20(38)16-10-21(39)37(14-16)19-7-5-6-18(11-19)27(28,29)30/h5-7,11-13,16,20,38H,3-4,8-10,14-15H2,1-2H3,(H,32,33)
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1.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242131
PNG
(CHEMBL4087158)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O2/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32)
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1.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242086
PNG
(CHEMBL4088514)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O2/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30)
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1.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232049
PNG
(CHEMBL4095843)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)
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1.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242120
PNG
(CHEMBL4059779)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H17F3N6O3/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)33-21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32)
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1.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242116
PNG
(CHEMBL4079273)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H17FN6O2/c1-2-9-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)10-3-4-13-5-7-15(21)8-6-13/h5-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,29)
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1.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242058
PNG
(CHEMBL4070936)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33)
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1.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in...


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235057
PNG
(CHEMBL4094491)
Show SMILES COc1ccc(OC(C)(C)C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)cc1OC
Show InChI InChI=1S/C24H29N3O6S/c1-24(2,33-15-6-8-17(29-3)19(14-15)31-5)22(28)26-23-25-20-18(30-4)9-7-16(21(20)34-23)27-10-12-32-13-11-27/h6-9,14H,10-13H2,1-5H3,(H,25,26,28)
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1.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232078
PNG
(CHEMBL4080171)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C26H30ClFN8O3/c1-3-7-35-24-22(25(38)36(8-4-2)26(35)39)30-23(31-24)17-14-29-34(15-17)16-21(37)33-11-9-32(10-12-33)18-5-6-20(28)19(27)13-18/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,30,31)
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1.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(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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2n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABOPX from human adenosine receptor A2b expressed in HEK293 cell membranes after 3 hrs by fluorescence assay


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235055
PNG
(CHEMBL4095355)
Show SMILES CCN(CC)C1CCC(C)(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
Show InChI InChI=1S/C24H36N4O3S/c1-5-27(6-2)17-9-11-24(3,12-10-17)22(29)26-23-25-20-19(30-4)8-7-18(21(20)32-23)28-13-15-31-16-14-28/h7-8,17H,5-6,9-16H2,1-4H3,(H,25,26,29)
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2.10n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Affinity of the Compound for Dopamine D1 receptor in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]SCH-23390 as ligand.


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235054
PNG
(CHEMBL4067952)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)(CC3)C(C)C)nc12
Show InChI InChI=1S/C23H33N3O4S/c1-15(2)23(28)9-7-22(3,8-10-23)20(27)25-21-24-18-17(29-4)6-5-16(19(18)31-21)26-11-13-30-14-12-26/h5-6,15,28H,7-14H2,1-4H3,(H,24,25,27)
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2.10n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235047
PNG
(CHEMBL4102234)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc4OCOc4c3)nc12
Show InChI InChI=1S/C23H25N3O6S/c1-23(2,32-14-4-6-16-18(12-14)31-13-30-16)21(27)25-22-24-19-17(28-3)7-5-15(20(19)33-22)26-8-10-29-11-9-26/h4-7,12H,8-11,13H2,1-3H3,(H,24,25,27)
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2.10n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242118
PNG
(CHEMBL4105001)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O2/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32)
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2.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231589
PNG
(CHEMBL4073088)
Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)
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2.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231597
PNG
(CHEMBL4102409)
Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C20H24N4O3/c1-3-11-24-19(25)16-18(22-17(21-16)13-7-4-5-8-13)23-20(24)27-15-10-6-9-14(12-15)26-2/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)
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2.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235046
PNG
(CHEMBL4065326)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12
Show InChI InChI=1S/C22H23F2N3O4S/c1-22(2,31-13-4-5-14(23)15(24)12-13)20(28)26-21-25-18-17(29-3)7-6-16(19(18)32-21)27-8-10-30-11-9-27/h4-7,12H,8-11H2,1-3H3,(H,25,26,28)
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2.40n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235044
PNG
(CHEMBL4103179)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3F)nc12
Show InChI InChI=1S/C22H23F2N3O4S/c1-22(2,31-16-6-4-13(23)12-14(16)24)20(28)26-21-25-18-17(29-3)7-5-15(19(18)32-21)27-8-10-30-11-9-27/h4-7,12H,8-11H2,1-3H3,(H,25,26,28)
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2.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232089
PNG
(CHEMBL4100199)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C27H30F3N7O3/c1-3-9-35-24-22(25(39)36(10-4-2)26(35)40)32-23(33-24)18-14-31-34(16-18)11-8-17-12-21(38)37(15-17)20-7-5-6-19(13-20)27(28,29)30/h5-7,13-14,16-17H,3-4,8-12,15H2,1-2H3,(H,32,33)
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2.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235043
PNG
(CHEMBL4095424)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3cccc(F)c3)nc12
Show InChI InChI=1S/C22H24FN3O4S/c1-22(2,30-15-6-4-5-14(23)13-15)20(27)25-21-24-18-17(28-3)8-7-16(19(18)31-21)26-9-11-29-12-10-26/h4-8,13H,9-12H2,1-3H3,(H,24,25,27)
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2.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 90 mins


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242119
PNG
(CHEMBL4081707)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C21H17F3N6O3/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)33-21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32)
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2.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232050
PNG
(CHEMBL4065717)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)nc1
Show InChI InChI=1/C28H29F3N6O4/c1-3-11-35-25-23(26(39)36(12-4-2)27(35)40)33-24(34-25)18-5-10-21(32-14-18)41-16-17-13-22(38)37(15-17)20-8-6-19(7-9-20)28(29,30)31/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,33,34)
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3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242133
PNG
(CHEMBL4097296)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H17FN6O2/c1-2-8-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)9-4-6-13-5-3-7-15(21)10-13/h3,5,7,10-12H,2,8-9H2,1H3,(H,23,24)(H,25,29)
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3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235048
PNG
(CHEMBL4080594)
Show SMILES COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H23FN4O4S/c1-21(2,30-14-6-4-13(22)5-7-14)19(27)25-20-24-16-15(28-3)12-23-18(17(16)31-20)26-8-10-29-11-9-26/h4-7,12H,8-11H2,1-3H3,(H,24,25,27)
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3.40n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 90 mins


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242134
PNG
(CHEMBL4075650)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(=O)OCC)c1
Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)20-16-27-30(17-20)15-7-8-18-9-11-19(12-10-18)25(34)36-6-3/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,28,29)
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3.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232086
PNG
(CHEMBL4074412)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C26H30F3N7O2/c1-3-9-35-23-21(24(37)36(10-4-2)25(35)38)31-22(32-23)18-13-30-34(16-18)15-17-8-11-33(14-17)20-7-5-6-19(12-20)26(27,28)29/h5-7,12-13,16-17H,3-4,8-11,14-15H2,1-2H3,(H,31,32)
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3.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231709
PNG
(CHEMBL4083067)
Show SMILES CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C18H20ClN5O2/c1-2-10-24-17(25)13-16(22-15(21-13)11-6-3-4-7-11)23-18(24)26-12-8-5-9-20-14(12)19/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22)
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3.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins


Bioorg Med Chem 25: 1963-1975 (2017)


Article DOI: 10.1016/j.bmc.2017.02.029
BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242059
PNG
(CHEMBL4076435)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30)
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3.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242084
PNG
(CHEMBL4104876)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C#N)c1
Show InChI InChI=1S/C24H23N7O2/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)12-6-9-17-7-5-8-18(13-17)14-25/h5,7-8,13,15-16H,3-4,10-12H2,1-2H3,(H,27,28)
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3.70n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232045
PNG
(CHEMBL4065629)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(F)cc2)c1
Show InChI InChI=1/C24H26FN7O3/c1-3-9-31-23(34)20-22(30(4-2)24(31)35)28-21(27-20)16-11-26-29(14-16)12-15-10-19(33)32(13-15)18-7-5-17(25)6-8-18/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,27,28)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232083
PNG
(CHEMBL4088043)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(F)cc2)nc1
Show InChI InChI=1/C27H29FN6O4/c1-3-11-32-25-23(26(36)33(12-4-2)27(32)37)30-24(31-25)18-5-10-21(29-14-18)38-16-17-13-22(35)34(15-17)20-8-6-19(28)7-9-20/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,30,31)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232047
PNG
(CHEMBL4074253)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C25H26F3N7O3/c1-3-9-34-23(37)20-22(33(4-2)24(34)38)31-21(30-20)16-11-29-32(14-16)12-15-10-19(36)35(13-15)18-7-5-17(6-8-18)25(26,27)28/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,30,31)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232065
PNG
(CHEMBL4073346)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)C(C)C1CN(C(=O)C1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1/C27H30F3N7O3/c1-4-9-34-24-22(25(39)35(10-5-2)26(34)40)32-23(33-24)18-13-31-37(15-18)16(3)17-11-21(38)36(14-17)20-8-6-7-19(12-20)27(28,29)30/h6-8,12-13,15-17H,4-5,9-11,14H2,1-3H3,(H,32,33)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232070
PNG
(CHEMBL4091110)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1/C26H28F3N7O4/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)18-5-7-19(8-6-18)40-26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232049
PNG
(CHEMBL4095843)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H31F3N8O3/c1-3-8-37-24-22(25(40)38(9-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-12-10-34(11-13-35)20-7-5-6-19(14-20)27(28,29)30/h5-7,14-16H,3-4,8-13,17H2,1-2H3,(H,32,33)
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4n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235042
PNG
(CHEMBL4068032)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12
Show InChI InChI=1S/C22H24FN3O4S/c1-22(2,30-15-6-4-14(23)5-7-15)20(27)25-21-24-18-17(28-3)9-8-16(19(18)31-21)26-10-12-29-13-11-26/h4-9H,10-13H2,1-3H3,(H,24,25,27)
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4.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232059
PNG
(CHEMBL4094755)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C25H26F3N7O3/c1-3-8-34-23(37)20-22(33(4-2)24(34)38)31-21(30-20)16-11-29-32(14-16)12-15-9-19(36)35(13-15)18-7-5-6-17(10-18)25(26,27)28/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,30,31)
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4.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
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